2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

C11H14N2 — CID 90953475

IUPAC2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
SMILESC=c1cc2c(nc1=C)CCNCC2
InChIInChI=1S/C11H14N2/c1-8-7-10-3-5-12-6-4-11(10)13-9(8)2/h7,12H,1-6H2
InChIKeyYKLSRVRYVMRMII-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.41
Rot. Bonds

About 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine

2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine (PubChem CID 90953475) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
PubChem CID90953475
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
SMILESC=c1cc2c(nc1=C)CCNCC2
InChIInChI=1S/C11H14N2/c1-8-7-10-3-5-12-6-4-11(10)13-9(8)2/h7,12H,1-6H2
InChIKeyYKLSRVRYVMRMII-UHFFFAOYSA-N
XLogP-0.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroazepino[4,3-b]indole
CID 66873478
Tetrahydroindolo[2,3-d]azepine
CID 87087142
Hexahydroazonino[5,6-b]indole
CID 129799442
2,3,4,6,7,8-hexahydro-1H-1,5-benzodiazepine
CID 10419358
1,2,3,4,5,5a-Hexahydroazepino[4,5-b]indole
CID 66641490
7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine
CID 68558757
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69029528
2-(1,2-Dihydropyridin-6-yl)-3,4-dihydropyridine
CID 89050135
7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine
CID 90814858
2,3-Dimethylidene-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91024706
7-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-azepine
CID 123690321
N-[2-(7-methyl-2-pentyl-4H-azepin-6-yl)ethyl]prop-1-en-2-amine
CID 139384277

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The IUPAC name of 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine (CID 90953475) is 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The canonical SMILES for 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine is C=c1cc2c(nc1=C)CCNCC2.
What is the InChIKey of 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The InChIKey is YKLSRVRYVMRMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-7-10-3-5-12-6-4-11(10)13-9(8)2/h7,12H,1-6H2.
What are the key properties of 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine has a molecular weight of 174.25 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine is sourced from PubChem (CID 90953475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).