[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide

C12H9N2O- — CID 162417037

IUPAC[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide
SMILESCn1cc(C(=O)C=C=[N-])c2ccccc21
InChIInChI=1S/C12H9N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-6,8H,1H3/q-1
InChIKeyRFRRENZSVHJCRZ-UHFFFAOYSA-N
MW197.22 g/mol
LogP2.16
Rot. Bonds2

About [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide

[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide (PubChem CID 162417037) has the molecular formula C12H9N2O- and a molecular weight of 197.22 g/mol. Its IUPAC name is [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide.

Molecular Properties

Compound Name[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide
PubChem CID162417037
Molecular FormulaC12H9N2O-
Molecular Weight197.22 g/mol
Exact Mass197.07
IUPAC Name[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide
SMILESCn1cc(C(=O)C=C=[N-])c2ccccc21
InChIInChI=1S/C12H9N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-6,8H,1H3/q-1
InChIKeyRFRRENZSVHJCRZ-UHFFFAOYSA-N
XLogP2.16
TPSA44.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylindol-3-yl)-2-oxoacetamide
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1-methylindole-3-carbothioic S-acid
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CID 91016552
chloro 1-methylindole-3-carboxylate
CID 69132264
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N-phenylindole-3-carboxamide
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2,2-dimethyl-3-(1-methylindol-3-yl)-3-oxopropanoic acid
CID 116918097
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
(E)-1-(1-methylindol-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
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4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide?
The IUPAC name of [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide (CID 162417037) is [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide.
What is the SMILES notation for [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide?
The canonical SMILES for [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide is Cn1cc(C(=O)C=C=[N-])c2ccccc21.
What is the InChIKey of [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide?
The InChIKey is RFRRENZSVHJCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N2O/c1-14-8-10(12(15)6-7-13)9-4-2-3-5-11(9)14/h2-6,8H,1H3/q-1.
What are the key properties of [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide?
[3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide has a molecular weight of 197.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylindol-3-yl)-3-oxoprop-1-enylidene]azanide is sourced from PubChem (CID 162417037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).