1H-azepin-2-yl(indolizin-1-yl)methanone

C15H12N2O — CID 174595387

IUPAC1H-azepin-2-yl(indolizin-1-yl)methanone
SMILESO=C(C1=CC=CC=CN1)c1ccn2ccccc12
InChIInChI=1S/C15H12N2O/c18-15(13-6-2-1-4-9-16-13)12-8-11-17-10-5-3-7-14(12)17/h1-11,16H
InChIKeyGZTFTIRCTSETKI-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.68
Rot. Bonds2

About 1H-azepin-2-yl(indolizin-1-yl)methanone

1H-azepin-2-yl(indolizin-1-yl)methanone (PubChem CID 174595387) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1H-azepin-2-yl(indolizin-1-yl)methanone.

Molecular Properties

Compound Name1H-azepin-2-yl(indolizin-1-yl)methanone
PubChem CID174595387
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1H-azepin-2-yl(indolizin-1-yl)methanone
SMILESO=C(C1=CC=CC=CN1)c1ccn2ccccc12
InChIInChI=1S/C15H12N2O/c18-15(13-6-2-1-4-9-16-13)12-8-11-17-10-5-3-7-14(12)17/h1-11,16H
InChIKeyGZTFTIRCTSETKI-UHFFFAOYSA-N
XLogP2.68
TPSA33.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-N-methylindolizine-1-carboxamide
CID 102037837
1-(3-bromoprop-1-en-2-yl)indolizine
CID 169203383
3-indolizin-1-ylpropanoic acid
CID 70438951
CID 136846530
CID 136846530
2-amino-1-indolizin-1-ylethanol
CID 169203364
1,1'-biphenyl;indolizin-1-ol
CID 22905672
1-[2-[(sulfamoylamino)methyl]piperidine-1-carbonyl]indolizine
CID 154785610
N-indolizin-8-ylbenzamide
CID 159451185
indolizin-1-ylmethanol;pyridine
CID 174415152
cyclopropyl indolizine-8-carboxylate
CID 123950659
2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
CID 175928766
3-benzoylindolizine-1-carboxylic acid
CID 71356515

Frequently Asked Questions

What is the IUPAC name of 1H-azepin-2-yl(indolizin-1-yl)methanone?
The IUPAC name of 1H-azepin-2-yl(indolizin-1-yl)methanone (CID 174595387) is 1H-azepin-2-yl(indolizin-1-yl)methanone.
What is the SMILES notation for 1H-azepin-2-yl(indolizin-1-yl)methanone?
The canonical SMILES for 1H-azepin-2-yl(indolizin-1-yl)methanone is O=C(C1=CC=CC=CN1)c1ccn2ccccc12.
What is the InChIKey of 1H-azepin-2-yl(indolizin-1-yl)methanone?
The InChIKey is GZTFTIRCTSETKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(13-6-2-1-4-9-16-13)12-8-11-17-10-5-3-7-14(12)17/h1-11,16H.
What are the key properties of 1H-azepin-2-yl(indolizin-1-yl)methanone?
1H-azepin-2-yl(indolizin-1-yl)methanone has a molecular weight of 236.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-2-yl(indolizin-1-yl)methanone is sourced from PubChem (CID 174595387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).