5-ethyl-1H-pyrrole-2-carbonitrile

5-ethyl-1H-pyrrole-2-carbonitrile

CAS: 159326-76-8

Formula: C7H8N2

SMILES: CCC1=CC=C(N1)C#N

IUPAC: 5-ethyl-1H-pyrrole-2-carbonitrile

InChI: InChI=1S/C7H8N2/c1-2-6-3-4-7(5-8)9-6/h3-4,9H,2H2,1H3

Composition: C (69.97%), H (6.71%), N (23.31%)

Molar Mass: 120.155

Atom Count: 17

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	120.068748266
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JJHPJKNNGFQBAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.09
Topological Polar Surface Area	39.58
Polarizability	13.47
Ring Count	1
Rotatable Bond Count	1

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