3-[4-(morpholin-4-ylmethyl)phenyl]-3-oxopropanenitrile

3-[4-(morpholin-4-ylmethyl)phenyl]-3-oxopropanenitrile

CAS: 494772-88-2

Formula: C14H16N2O2

SMILES: O=C(CC#N)C1=CC=C(CN2CCOCC2)C=C1

IUPAC: 3-{4-[(morpholin-4-yl)methyl]phenyl}-3-oxopropanenitrile

InChI: InChI=1S/C14H16N2O2/c15-6-5-14(17)13-3-1-12(2-4-13)11-16-7-9-18-10-8-16/h1-4H,5,7-11H2

Composition: C (68.83%), H (6.60%), N (11.47%), O (13.10%)

Molar Mass: 244.294

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.121177763
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AHCJOBZGEGPAPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.4
Topological Polar Surface Area	53.33
Polarizability	26.44
Ring Count	2
Rotatable Bond Count	4

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