(3-amino-4-methylindol-1-yl)-phenylmethanone

C16H14N2O — CID 101141428

IUPAC(3-amino-4-methylindol-1-yl)-phenylmethanone
SMILESCc1cccc2c1c(N)cn2C(=O)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-11-6-5-9-14-15(11)13(17)10-18(14)16(19)12-7-3-2-4-8-12/h2-10H,17H2,1H3
InChIKeyIGGVHADOSMTOAB-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.22
Rot. Bonds1

About (3-amino-4-methylindol-1-yl)-phenylmethanone

(3-amino-4-methylindol-1-yl)-phenylmethanone (PubChem CID 101141428) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-amino-4-methylindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-4-methylindol-1-yl)-phenylmethanone
PubChem CID101141428
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(3-amino-4-methylindol-1-yl)-phenylmethanone
SMILESCc1cccc2c1c(N)cn2C(=O)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-11-6-5-9-14-15(11)13(17)10-18(14)16(19)12-7-3-2-4-8-12/h2-10H,17H2,1H3
InChIKeyIGGVHADOSMTOAB-UHFFFAOYSA-N
XLogP3.22
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylindol-1-yl)-phenylmethanone?
The IUPAC name of (3-amino-4-methylindol-1-yl)-phenylmethanone (CID 101141428) is (3-amino-4-methylindol-1-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-4-methylindol-1-yl)-phenylmethanone?
The canonical SMILES for (3-amino-4-methylindol-1-yl)-phenylmethanone is Cc1cccc2c1c(N)cn2C(=O)c1ccccc1.
What is the InChIKey of (3-amino-4-methylindol-1-yl)-phenylmethanone?
The InChIKey is IGGVHADOSMTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-5-9-14-15(11)13(17)10-18(14)16(19)12-7-3-2-4-8-12/h2-10H,17H2,1H3.
What are the key properties of (3-amino-4-methylindol-1-yl)-phenylmethanone?
(3-amino-4-methylindol-1-yl)-phenylmethanone has a molecular weight of 250.30 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylindol-1-yl)-phenylmethanone is sourced from PubChem (CID 101141428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).