6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane

C11H18ClN — CID 130636839

IUPAC6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane
SMILESC=C(Cl)CN1CCCC2(CCC2)C1
InChIInChI=1S/C11H18ClN/c1-10(12)8-13-7-3-6-11(9-13)4-2-5-11/h1-9H2
InChIKeyMGNWVDPVJQPNDF-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.01
Rot. Bonds2

About 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane

6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane (PubChem CID 130636839) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane
PubChem CID130636839
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane
SMILESC=C(Cl)CN1CCCC2(CCC2)C1
InChIInChI=1S/C11H18ClN/c1-10(12)8-13-7-3-6-11(9-13)4-2-5-11/h1-9H2
InChIKeyMGNWVDPVJQPNDF-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane?
The IUPAC name of 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane (CID 130636839) is 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane.
What is the SMILES notation for 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane?
The canonical SMILES for 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane is C=C(Cl)CN1CCCC2(CCC2)C1.
What is the InChIKey of 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane?
The InChIKey is MGNWVDPVJQPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN/c1-10(12)8-13-7-3-6-11(9-13)4-2-5-11/h1-9H2.
What are the key properties of 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane?
6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane has a molecular weight of 199.72 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane is sourced from PubChem (CID 130636839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).