4-(azepin-2-ylidene)-1H-indol-2-one

C14H10N2O — CID 174382915

IUPAC4-(azepin-2-ylidene)-1H-indol-2-one
SMILESO=C1C=c2c(cccc2=C2C=CC=CC=N2)N1
InChIInChI=1S/C14H10N2O/c17-14-9-11-10(5-4-7-13(11)16-14)12-6-2-1-3-8-15-12/h1-9H,(H,16,17)
InChIKeyFSZQJUPCIPKXPI-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.72
Rot. Bonds

About 4-(azepin-2-ylidene)-1H-indol-2-one

4-(azepin-2-ylidene)-1H-indol-2-one (PubChem CID 174382915) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-(azepin-2-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name4-(azepin-2-ylidene)-1H-indol-2-one
PubChem CID174382915
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name4-(azepin-2-ylidene)-1H-indol-2-one
SMILESO=C1C=c2c(cccc2=C2C=CC=CC=N2)N1
InChIInChI=1S/C14H10N2O/c17-14-9-11-10(5-4-7-13(11)16-14)12-6-2-1-3-8-15-12/h1-9H,(H,16,17)
InChIKeyFSZQJUPCIPKXPI-UHFFFAOYSA-N
XLogP0.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azepin-2-ylidene)-1H-indol-2-one?
The IUPAC name of 4-(azepin-2-ylidene)-1H-indol-2-one (CID 174382915) is 4-(azepin-2-ylidene)-1H-indol-2-one.
What is the SMILES notation for 4-(azepin-2-ylidene)-1H-indol-2-one?
The canonical SMILES for 4-(azepin-2-ylidene)-1H-indol-2-one is O=C1C=c2c(cccc2=C2C=CC=CC=N2)N1.
What is the InChIKey of 4-(azepin-2-ylidene)-1H-indol-2-one?
The InChIKey is FSZQJUPCIPKXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-9-11-10(5-4-7-13(11)16-14)12-6-2-1-3-8-15-12/h1-9H,(H,16,17).
What are the key properties of 4-(azepin-2-ylidene)-1H-indol-2-one?
4-(azepin-2-ylidene)-1H-indol-2-one has a molecular weight of 222.25 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepin-2-ylidene)-1H-indol-2-one is sourced from PubChem (CID 174382915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).