7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine

C10H17N — CID 10986427

IUPAC7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine
SMILESC=CCCC1=NCCCCC1
InChIInChI=1S/C10H17N/c1-2-3-7-10-8-5-4-6-9-11-10/h2H,1,3-9H2
InChIKeyIDUXGFFJXONBBR-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds3

About 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine

7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 10986427) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine
PubChem CID10986427
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine
SMILESC=CCCC1=NCCCCC1
InChIInChI=1S/C10H17N/c1-2-3-7-10-8-5-4-6-9-11-10/h2H,1,3-9H2
InChIKeyIDUXGFFJXONBBR-UHFFFAOYSA-N
XLogP2.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
CID 14106263
2-Hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
CID 557705
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-2-(8-nonenyl)-
CID 158017
2-(2'-Propenyl)-delta-1-piperideine
CID 157009993
7-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 70256777
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine
CID 129798131
7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
CID 134988764
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-
CID 10012094
2H-Pyrrole, 3,4-dihydro-5-(4-pentenyl)-
CID 15105256
2H-Pyrrole, 5-(6-heptenyl)-3,4-dihydro-
CID 15105257
2H-Pyrrole, 3,4-dihydro-5-(8-nonenyl)-
CID 15105258
5-but-3-enyl-3,4-dihydro-2H-pyrrole
CID 11571799

Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine (CID 10986427) is 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine is C=CCCC1=NCCCCC1.
What is the InChIKey of 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is IDUXGFFJXONBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-2-3-7-10-8-5-4-6-9-11-10/h2H,1,3-9H2.
What are the key properties of 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine?
7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 151.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 10986427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).