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

C11H19NO — CID 43222769

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol
SMILESCCC(CO)NC1CC2CC=CC21
InChIInChI=1S/C11H19NO/c1-2-9(7-13)12-11-6-8-4-3-5-10(8)11/h3,5,8-13H,2,4,6-7H2,1H3
InChIKeyIYTFJKJGJDRVRT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.31
Rot. Bonds4

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

2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol (PubChem CID 43222769) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol
PubChem CID43222769
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol
SMILESCCC(CO)NC1CC2CC=CC21
InChIInChI=1S/C11H19NO/c1-2-9(7-13)12-11-6-8-4-3-5-10(8)11/h3,5,8-13H,2,4,6-7H2,1H3
InChIKeyIYTFJKJGJDRVRT-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
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)butan-1-ol?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol (CID 43222769) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol is CCC(CO)NC1CC2CC=CC21.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol?
The InChIKey is IYTFJKJGJDRVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-9(7-13)12-11-6-8-4-3-5-10(8)11/h3,5,8-13H,2,4,6-7H2,1H3.
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol?
2-(6-bicyclo[3.2.0]hept-3-enylamino)butan-1-ol has a molecular weight of 181.28 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)butan-1-ol is sourced from PubChem (CID 43222769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).