ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

CAS: 65880-17-3

Formula: C11H15NO2

SMILES: CCOC(=O)C1=C2CCCCC2=CN1

IUPAC: ethyl 4,5,6,7-tetrahydro-2H-isoindole-1-carboxylate

InChI: InChI=1S/C11H15NO2/c1-2-14-11(13)10-9-6-4-3-5-8(9)7-12-10/h7,12H,2-6H2,1H3

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	193.110278727
Formal Charge	0
FSP3	0.55
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	NIMDFIORBNYIGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.95
Topological Polar Surface Area	42.09
Polarizability	20.79
Ring Count	2
Rotatable Bond Count	3

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