1-(2-chloroprop-2-enyl)-4-methylazepane

C10H18ClN — CID 130709084

IUPAC1-(2-chloroprop-2-enyl)-4-methylazepane
SMILESC=C(Cl)CN1CCCC(C)CC1
InChIInChI=1S/C10H18ClN/c1-9-4-3-6-12(7-5-9)8-10(2)11/h9H,2-8H2,1H3
InChIKeyKPNSDZVCWLMXMT-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.86
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-4-methylazepane

1-(2-chloroprop-2-enyl)-4-methylazepane (PubChem CID 130709084) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-4-methylazepane.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-4-methylazepane
PubChem CID130709084
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name1-(2-chloroprop-2-enyl)-4-methylazepane
SMILESC=C(Cl)CN1CCCC(C)CC1
InChIInChI=1S/C10H18ClN/c1-9-4-3-6-12(7-5-9)8-10(2)11/h9H,2-8H2,1H3
InChIKeyKPNSDZVCWLMXMT-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylazepane?
The IUPAC name of 1-(2-chloroprop-2-enyl)-4-methylazepane (CID 130709084) is 1-(2-chloroprop-2-enyl)-4-methylazepane.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-4-methylazepane?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-4-methylazepane is C=C(Cl)CN1CCCC(C)CC1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-4-methylazepane?
The InChIKey is KPNSDZVCWLMXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-9-4-3-6-12(7-5-9)8-10(2)11/h9H,2-8H2,1H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-4-methylazepane?
1-(2-chloroprop-2-enyl)-4-methylazepane has a molecular weight of 187.71 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-4-methylazepane is sourced from PubChem (CID 130709084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).