(5-methylindol-2-ylidene)methanone

C10H7NO — CID 21327252

IUPAC(5-methylindol-2-ylidene)methanone
SMILESCc1ccc2c(c1)=CC(=C=O)N=2
InChIInChI=1S/C10H7NO/c1-7-2-3-10-8(4-7)5-9(6-12)11-10/h2-5H,1H3
InChIKeyRKYYZSPWXGRQQE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.12
Rot. Bonds

About (5-methylindol-2-ylidene)methanone

(5-methylindol-2-ylidene)methanone (PubChem CID 21327252) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is (5-methylindol-2-ylidene)methanone.

Molecular Properties

Compound Name(5-methylindol-2-ylidene)methanone
PubChem CID21327252
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name(5-methylindol-2-ylidene)methanone
SMILESCc1ccc2c(c1)=CC(=C=O)N=2
InChIInChI=1S/C10H7NO/c1-7-2-3-10-8(4-7)5-9(6-12)11-10/h2-5H,1H3
InChIKeyRKYYZSPWXGRQQE-UHFFFAOYSA-N
XLogP0.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Indol-2-one
CID 17904787
Carbonylindole
CID 12913531
Methyleneindole
CID 20077160
3-Methyl-oxoindole
CID 21477845
(5-Fluoroindol-2-ylidene)methanone
CID 141371511
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
(Z)-indol-2-ylidenemethanolate
CID 134894680
(E)-(4-methylcyclopenta[b]pyridin-2-ylidene)methanolate
CID 138966761
5-Methylindol-2-one
CID 21839581
Carbonyl benzimidazole
CID 22387228
5-Propylindol-2-one
CID 23212396

Frequently Asked Questions

What is the IUPAC name of (5-methylindol-2-ylidene)methanone?
The IUPAC name of (5-methylindol-2-ylidene)methanone (CID 21327252) is (5-methylindol-2-ylidene)methanone.
What is the SMILES notation for (5-methylindol-2-ylidene)methanone?
The canonical SMILES for (5-methylindol-2-ylidene)methanone is Cc1ccc2c(c1)=CC(=C=O)N=2.
What is the InChIKey of (5-methylindol-2-ylidene)methanone?
The InChIKey is RKYYZSPWXGRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c1-7-2-3-10-8(4-7)5-9(6-12)11-10/h2-5H,1H3.
What are the key properties of (5-methylindol-2-ylidene)methanone?
(5-methylindol-2-ylidene)methanone has a molecular weight of 157.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylindol-2-ylidene)methanone is sourced from PubChem (CID 21327252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).