1-(4-propoxybenzoyl)indole-3-carbonitrile

C19H16N2O2 — CID 91689446

IUPAC1-(4-propoxybenzoyl)indole-3-carbonitrile
SMILESCCCOc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O2/c1-2-11-23-16-9-7-14(8-10-16)19(22)21-13-15(12-20)17-5-3-4-6-18(17)21/h3-10,13H,2,11H2,1H3
InChIKeyHNJSRHVPBOYCTE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-propoxybenzoyl)indole-3-carbonitrile

1-(4-propoxybenzoyl)indole-3-carbonitrile (PubChem CID 91689446) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(4-propoxybenzoyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-(4-propoxybenzoyl)indole-3-carbonitrile
PubChem CID91689446
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(4-propoxybenzoyl)indole-3-carbonitrile
SMILESCCCOc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O2/c1-2-11-23-16-9-7-14(8-10-16)19(22)21-13-15(12-20)17-5-3-4-6-18(17)21/h3-10,13H,2,11H2,1H3
InChIKeyHNJSRHVPBOYCTE-UHFFFAOYSA-N
XLogP3.99
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxybenzoyl)indole-3-carbonitrile
CID 91689445
1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile
CID 91689416
1-(3-propan-2-yloxybenzoyl)indole-3-carbonitrile
CID 90643210
1-(2-fluorobenzoyl)indole-3-carbonitrile
CID 82122318
1-(4-butoxybenzoyl)-2-methylindole-3-carboxamide
CID 91690683
1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile
CID 91689409
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658950
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
2-methyl-1-(3-propoxybenzoyl)indole-3-carboxylic acid
CID 91690627
(4-propoxyphenyl) 3-cyanobenzoate
CID 7747650

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxybenzoyl)indole-3-carbonitrile?
The IUPAC name of 1-(4-propoxybenzoyl)indole-3-carbonitrile (CID 91689446) is 1-(4-propoxybenzoyl)indole-3-carbonitrile.
What is the SMILES notation for 1-(4-propoxybenzoyl)indole-3-carbonitrile?
The canonical SMILES for 1-(4-propoxybenzoyl)indole-3-carbonitrile is CCCOc1ccc(C(=O)n2cc(C#N)c3ccccc32)cc1.
What is the InChIKey of 1-(4-propoxybenzoyl)indole-3-carbonitrile?
The InChIKey is HNJSRHVPBOYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-11-23-16-9-7-14(8-10-16)19(22)21-13-15(12-20)17-5-3-4-6-18(17)21/h3-10,13H,2,11H2,1H3.
What are the key properties of 1-(4-propoxybenzoyl)indole-3-carbonitrile?
1-(4-propoxybenzoyl)indole-3-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxybenzoyl)indole-3-carbonitrile is sourced from PubChem (CID 91689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).