2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol

C12H19NO — CID 63295394

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol
SMILESOC(CNC1CC2CC=CC21)C1CC1
InChIInChI=1S/C12H19NO/c14-12(8-4-5-8)7-13-11-6-9-2-1-3-10(9)11/h1,3,8-14H,2,4-7H2
InChIKeyNZGYPTCMRWUFMP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.31
Rot. Bonds4

About 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol

2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol (PubChem CID 63295394) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol
PubChem CID63295394
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol
SMILESOC(CNC1CC2CC=CC21)C1CC1
InChIInChI=1S/C12H19NO/c14-12(8-4-5-8)7-13-11-6-9-2-1-3-10(9)11/h1,3,8-14H,2,4-7H2
InChIKeyNZGYPTCMRWUFMP-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol (CID 63295394) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol is OC(CNC1CC2CC=CC21)C1CC1.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol?
The InChIKey is NZGYPTCMRWUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(8-4-5-8)7-13-11-6-9-2-1-3-10(9)11/h1,3,8-14H,2,4-7H2.
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol?
2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol has a molecular weight of 193.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-1-cyclopropylethanol is sourced from PubChem (CID 63295394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).