methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate

methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate

CAS: 18818-25-2

Formula: C11H15NO3

SMILES: COC(=O)CCC1=C(C)NC(C=O)=C1C

IUPAC: methyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate

InChI: InChI=1S/C11H15NO3/c1-7-9(4-5-11(14)15-3)8(2)12-10(7)6-13/h6,12H,4-5H2,1-3H3

Composition: C (63.14%), H (7.23%), N (6.69%), O (22.94%)

Molar Mass: 209.245

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	209.105193347
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ICSYWXKWNBYRGB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.15
Topological Polar Surface Area	59.16
Polarizability	21.61
Ring Count	1
Rotatable Bond Count	5

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