5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol

C9H14ClNO — CID 131232063

IUPAC5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol
SMILESOC1CN(C/C=C/Cl)CC12CC2
InChIInChI=1S/C9H14ClNO/c10-4-1-5-11-6-8(12)9(7-11)2-3-9/h1,4,8,12H,2-3,5-7H2/b4-1+
InChIKeyVSQZCAMHPIHGOM-DAFODLJHSA-N
MW187.67 g/mol
LogP1.20
Rot. Bonds2

About 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol

5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol (PubChem CID 131232063) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol.

Molecular Properties

Compound Name5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol
PubChem CID131232063
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol
SMILESOC1CN(C/C=C/Cl)CC12CC2
InChIInChI=1S/C9H14ClNO/c10-4-1-5-11-6-8(12)9(7-11)2-3-9/h1,4,8,12H,2-3,5-7H2/b4-1+
InChIKeyVSQZCAMHPIHGOM-DAFODLJHSA-N
XLogP1.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol?
The IUPAC name of 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol (CID 131232063) is 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol.
What is the SMILES notation for 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol?
The canonical SMILES for 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol is OC1CN(C/C=C/Cl)CC12CC2.
What is the InChIKey of 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol?
The InChIKey is VSQZCAMHPIHGOM-DAFODLJHSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-4-1-5-11-6-8(12)9(7-11)2-3-9/h1,4,8,12H,2-3,5-7H2/b4-1+.
What are the key properties of 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol?
5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol has a molecular weight of 187.67 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-chloroprop-2-enyl]-5-azaspiro[2.4]heptan-7-ol is sourced from PubChem (CID 131232063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).