2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

C11H14N2 — CID 69190056

IUPAC2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESC=CC1CCC2=C(C=CN=CC2)N1
InChIInChI=1S/C11H14N2/c1-2-10-4-3-9-5-7-12-8-6-11(9)13-10/h2,6-8,10,13H,1,3-5H2
InChIKeyKVJUFACMOPYTJS-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.17
Rot. Bonds1

About 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69190056) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
PubChem CID69190056
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESC=CC1CCC2=C(C=CN=CC2)N1
InChIInChI=1S/C11H14N2/c1-2-10-4-3-9-5-7-12-8-6-11(9)13-10/h2,6-8,10,13H,1,3-5H2
InChIKeyKVJUFACMOPYTJS-UHFFFAOYSA-N
XLogP2.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69023965
N-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-2-amine
CID 57230838
2-(2,3,4,5-Tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine
CID 67424456
Azane;4,11-diazatricyclo[5.4.0.02,10]undeca-1(7),2,4-triene
CID 68634027
2-(2,5-Dihydropyridin-4-yl)-1,2-dihydropyridine
CID 68653775
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine;dihydrochloride
CID 69029527
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69029528
2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69190251
9-methyl-2-propan-2-yl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69227915
2,3,4,5-tetrahydro-1H-pyrazino[2,3-h][3]benzazepine
CID 69736688
2,3,4,5-tetrahydro-1H-pyrido[3,4-h][3]benzazepine
CID 69737331
1,2,3,4,5,6-Hexahydropyrrolo[2,3-g][3]benzazepine
CID 70160875

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (CID 69190056) is 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is C=CC1CCC2=C(C=CN=CC2)N1.
What is the InChIKey of 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is KVJUFACMOPYTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-10-4-3-9-5-7-12-8-6-11(9)13-10/h2,6-8,10,13H,1,3-5H2.
What are the key properties of 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 174.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69190056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).