(5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene

C8H12ClN — CID 70537951

IUPAC(5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
SMILESCN1C2=C(Cl)CC[C@@H]1CC2
InChIInChI=1S/C8H12ClN/c1-10-6-2-4-7(9)8(10)5-3-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyDRYUTEBDAPCGFB-ZCFIWIBFSA-N
MW157.64 g/mol
LogP2.32
Rot. Bonds

About (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene

(5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene (PubChem CID 70537951) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name(5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
PubChem CID70537951
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
SMILESCN1C2=C(Cl)CC[C@@H]1CC2
InChIInChI=1S/C8H12ClN/c1-10-6-2-4-7(9)8(10)5-3-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyDRYUTEBDAPCGFB-ZCFIWIBFSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
The IUPAC name of (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene (CID 70537951) is (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
The canonical SMILES for (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene is CN1C2=C(Cl)CC[C@@H]1CC2.
What is the InChIKey of (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
The InChIKey is DRYUTEBDAPCGFB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12ClN/c1-10-6-2-4-7(9)8(10)5-3-6/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene?
(5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene has a molecular weight of 157.64 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-chloro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene is sourced from PubChem (CID 70537951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).