methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

CAS: 69687-80-5

Formula: C8H11NO2

SMILES: COC(=O)C1=C(C)NC(C)=C1

IUPAC: methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate

InChI: InChI=1S/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3

Composition: C (62.73%), H (7.24%), N (9.14%), O (20.89%)

Molar Mass: 153.181

Atom Count: 22

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	153.078978598
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OQWZEJIISPYZPW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.14
Topological Polar Surface Area	42.09
Polarizability	16
Ring Count	1
Rotatable Bond Count	2

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