1H-azepine;indol-2-one

C14H12N2O — CID 157383970

IUPAC1H-azepine;indol-2-one
SMILESC1=CC=CNC=C1.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.C6H7N/c10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-6-7-5-3-1/h1-5H;1-7H
InChIKeyBLFCENONSKZWDY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.80
Rot. Bonds

About 1H-azepine;indol-2-one

1H-azepine;indol-2-one (PubChem CID 157383970) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1H-azepine;indol-2-one.

Molecular Properties

Compound Name1H-azepine;indol-2-one
PubChem CID157383970
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1H-azepine;indol-2-one
SMILESC1=CC=CNC=C1.O=C1C=c2ccccc2=N1
InChIInChI=1S/C8H5NO.C6H7N/c10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-6-7-5-3-1/h1-5H;1-7H
InChIKeyBLFCENONSKZWDY-UHFFFAOYSA-N
XLogP0.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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4-(3-Aminoprop-2-enyl)indol-2-one
CID 67041038
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Frequently Asked Questions

What is the IUPAC name of 1H-azepine;indol-2-one?
The IUPAC name of 1H-azepine;indol-2-one (CID 157383970) is 1H-azepine;indol-2-one.
What is the SMILES notation for 1H-azepine;indol-2-one?
The canonical SMILES for 1H-azepine;indol-2-one is C1=CC=CNC=C1.O=C1C=c2ccccc2=N1.
What is the InChIKey of 1H-azepine;indol-2-one?
The InChIKey is BLFCENONSKZWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO.C6H7N/c10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-6-7-5-3-1/h1-5H;1-7H.
What are the key properties of 1H-azepine;indol-2-one?
1H-azepine;indol-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;indol-2-one is sourced from PubChem (CID 157383970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).