methyl (2E)-3-(1H-pyrrol-2-yl)prop-2-enoate

methyl (2E)-3-(1H-pyrrol-2-yl)prop-2-enoate

CAS: 32585-91-4

Formula: C8H9NO2

SMILES: COC(=O)C=CC1=CC=CN1

IUPAC: methyl (2E)-3-(1H-pyrrol-2-yl)prop-2-enoate

InChI: InChI=1S/C8H9NO2/c1-11-8(10)5-4-7-3-2-6-9-7/h2-6,9H,1H3/b5-4+

Composition: C (63.56%), H (6.00%), N (9.27%), O (21.17%)

Molar Mass: 151.165

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	151.063328534
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	FWODYBSMOMHLDY-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.47
Topological Polar Surface Area	42.09
Polarizability	15.92
Ring Count	1
Rotatable Bond Count	3

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