7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane

C10H16ClN — CID 130614648

IUPAC7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane
SMILESC=C(Cl)CN1CC2CCCCC21
InChIInChI=1S/C10H16ClN/c1-8(11)6-12-7-9-4-2-3-5-10(9)12/h9-10H,1-7H2
InChIKeyDNPVGZDNAXXNEF-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.61
Rot. Bonds2

About 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane

7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane (PubChem CID 130614648) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane
PubChem CID130614648
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane
SMILESC=C(Cl)CN1CC2CCCCC21
InChIInChI=1S/C10H16ClN/c1-8(11)6-12-7-9-4-2-3-5-10(9)12/h9-10H,1-7H2
InChIKeyDNPVGZDNAXXNEF-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
CID 127019883
7-(3-methylbut-3-enyl)-7-azabicyclo[4.2.0]octane
CID 130628784
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane
CID 130978927
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
3-(7-azabicyclo[4.2.0]octan-7-yl)propanoic acid
CID 127009430
9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
2-[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339388
9-prop-2-ynyl-9-azabicyclo[6.2.0]decane
CID 130688640
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]prop-2-enoic acid
CID 102727093
1-(2-chloroprop-2-enyl)-2-methylpyrrolidine;hydrochloride
CID 130639648
6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane
CID 130685379

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane?
The IUPAC name of 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane (CID 130614648) is 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane.
What is the SMILES notation for 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane?
The canonical SMILES for 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane is C=C(Cl)CN1CC2CCCCC21.
What is the InChIKey of 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane?
The InChIKey is DNPVGZDNAXXNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN/c1-8(11)6-12-7-9-4-2-3-5-10(9)12/h9-10H,1-7H2.
What are the key properties of 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane?
7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane has a molecular weight of 185.70 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroprop-2-enyl)-7-azabicyclo[4.2.0]octane is sourced from PubChem (CID 130614648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).