(2,3-dimethylideneindol-1-yl)-phenylmethanone

C17H13NO — CID 24978319

IUPAC(2,3-dimethylideneindol-1-yl)-phenylmethanone
SMILESC=c1c(=C)n(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H13NO/c1-12-13(2)18(16-11-7-6-10-15(12)16)17(19)14-8-4-3-5-9-14/h3-11H,1-2H2
InChIKeyLPADQMOCPNZQMQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.15
Rot. Bonds1

About (2,3-dimethylideneindol-1-yl)-phenylmethanone

(2,3-dimethylideneindol-1-yl)-phenylmethanone (PubChem CID 24978319) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is (2,3-dimethylideneindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,3-dimethylideneindol-1-yl)-phenylmethanone
PubChem CID24978319
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name(2,3-dimethylideneindol-1-yl)-phenylmethanone
SMILESC=c1c(=C)n(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C17H13NO/c1-12-13(2)18(16-11-7-6-10-15(12)16)17(19)14-8-4-3-5-9-14/h3-11H,1-2H2
InChIKeyLPADQMOCPNZQMQ-UHFFFAOYSA-N
XLogP2.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
CID 22569367
(2-amino-1-benzoylindol-3-yl)-phenylmethanone
CID 51700673
(1-methylcarbazol-9-yl)-phenylmethanone
CID 71277217
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
(1-methylpyrazolo[4,5-b]indol-4-yl)-phenylmethanone
CID 164524647
ethyl 1-benzoyl-3-bromoindole-2-carboxylate
CID 68975642
(1-iodo-2-phenylthieno[2,3-b]indol-4-yl)-phenylmethanone
CID 102130633
N-(1-benzoyl-2-methylindol-3-yl)-N-methylsulfonylacetamide
CID 90862769
9-benzoyl-2-[3-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)propyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione
CID 10417481
[3-ethanimidoyl-2-(methylamino)indol-1-yl]-phenylmethanone
CID 137277765
(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
CID 156788671
3-benzoyl-2-sulfanylidene-1H-quinazolin-4-one
CID 4771217

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylideneindol-1-yl)-phenylmethanone?
The IUPAC name of (2,3-dimethylideneindol-1-yl)-phenylmethanone (CID 24978319) is (2,3-dimethylideneindol-1-yl)-phenylmethanone.
What is the SMILES notation for (2,3-dimethylideneindol-1-yl)-phenylmethanone?
The canonical SMILES for (2,3-dimethylideneindol-1-yl)-phenylmethanone is C=c1c(=C)n(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of (2,3-dimethylideneindol-1-yl)-phenylmethanone?
The InChIKey is LPADQMOCPNZQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c1-12-13(2)18(16-11-7-6-10-15(12)16)17(19)14-8-4-3-5-9-14/h3-11H,1-2H2.
What are the key properties of (2,3-dimethylideneindol-1-yl)-phenylmethanone?
(2,3-dimethylideneindol-1-yl)-phenylmethanone has a molecular weight of 247.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylideneindol-1-yl)-phenylmethanone is sourced from PubChem (CID 24978319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).