methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate

C10H9NO3 — CID 11286971

IUPACmethyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate
SMILESCOC(=O)C1=C/C(=C/C=C=O)N=C1C
InChIInChI=1S/C10H9NO3/c1-7-9(10(13)14-2)6-8(11-7)4-3-5-12/h3-4,6H,1-2H3/b8-4-
InChIKeyUFUCKVWGVXHHEQ-YWEYNIOJSA-N
MW191.19 g/mol
LogP0.83
Rot. Bonds2

About methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate

methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate (PubChem CID 11286971) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate
PubChem CID11286971
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate
SMILESCOC(=O)C1=C/C(=C/C=C=O)N=C1C
InChIInChI=1S/C10H9NO3/c1-7-9(10(13)14-2)6-8(11-7)4-3-5-12/h3-4,6H,1-2H3/b8-4-
InChIKeyUFUCKVWGVXHHEQ-YWEYNIOJSA-N
XLogP0.83
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

Methyl porphyrin-5-carboxylate
CID 69772034
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CID 90691877
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CID 123289253
Methyl 5,6-di(ethylidene)pyridine-3-carboxylate
CID 123728530
ethenyl (2E)-2-(5-methylidenepyrrol-2-yl)-2-(5-methylpyrrol-2-ylidene)acetate
CID 126592322
sodium methyl (5E)-4-hydroxy-2-methyl-5-(phenylmethylidene)pyrrole-3-carboxylate
CID 135985426
Ethyl 2,4-dimethyl-5-(oxomethylidene)pyrrole-3-carboxylate
CID 139949945
methyl 2-methylidene-6H-quinolin-6-ylium-4-carboxylate
CID 142143458
methyl 7H-carbazole-3-carboxylate
CID 154021573
methyl 5H-carbazole-3-carboxylate
CID 154067229
Methyl 2-indol-2-ylideneacetate
CID 175688695
methyl (5Z)-2,4-dimethyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate
CID 101728070

Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate?
The IUPAC name of methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate (CID 11286971) is methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate.
What is the SMILES notation for methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate?
The canonical SMILES for methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate is COC(=O)C1=C/C(=C/C=C=O)N=C1C.
What is the InChIKey of methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate?
The InChIKey is UFUCKVWGVXHHEQ-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H9NO3/c1-7-9(10(13)14-2)6-8(11-7)4-3-5-12/h3-4,6H,1-2H3/b8-4-.
What are the key properties of methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate?
methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-2-methyl-5-(3-oxoprop-2-enylidene)pyrrole-3-carboxylate is sourced from PubChem (CID 11286971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).