7-ethenyl-3,4,5,6-tetrahydro-2H-azepine

C8H13N — CID 134988764

IUPAC7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
SMILESC=CC1=NCCCCC1
InChIInChI=1S/C8H13N/c1-2-8-6-4-3-5-7-9-8/h2H,1,3-7H2
InChIKeyQLBSAVVTHHBIPF-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

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

7-ethenyl-3,4,5,6-tetrahydro-2H-azepine (PubChem CID 134988764) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine.

Molecular Properties

Compound Name7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
PubChem CID134988764
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
SMILESC=CC1=NCCCCC1
InChIInChI=1S/C8H13N/c1-2-8-6-4-3-5-7-9-8/h2H,1,3-7H2
InChIKeyQLBSAVVTHHBIPF-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2'-Propenyl)-delta-1-piperideine
CID 157009993
5-ethenyl-3,4-dihydro-2H-pyrrole
CID 21982891
7-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 70256777
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
7-but-3-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 10986427
5-but-3-enyl-3,4-dihydro-2H-pyrrole
CID 11571799
6-(4-Pentenyl)-2,3,4,5-tetrahydropyridine
CID 15731522
7-hex-5-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 100994946
2,5-bis(prop-2-enyl)-3,4-dihydro-2H-pyrrole
CID 70627872

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine?
The IUPAC name of 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine (CID 134988764) is 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine.
What is the SMILES notation for 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine?
The canonical SMILES for 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine is C=CC1=NCCCCC1.
What is the InChIKey of 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine?
The InChIKey is QLBSAVVTHHBIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-8-6-4-3-5-7-9-8/h2H,1,3-7H2.
What are the key properties of 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine?
7-ethenyl-3,4,5,6-tetrahydro-2H-azepine has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3,4,5,6-tetrahydro-2H-azepine is sourced from PubChem (CID 134988764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).