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

C10H17NO — CID 43223084

IUPAC1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol
SMILESCC(O)CNC1CC2CC=CC21
InChIInChI=1S/C10H17NO/c1-7(12)6-11-10-5-8-3-2-4-9(8)10/h2,4,7-12H,3,5-6H2,1H3
InChIKeyYFKRRUSLGWRMLY-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.92
Rot. Bonds3

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

1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol (PubChem CID 43223084) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol
PubChem CID43223084
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol
SMILESCC(O)CNC1CC2CC=CC21
InChIInChI=1S/C10H17NO/c1-7(12)6-11-10-5-8-3-2-4-9(8)10/h2,4,7-12H,3,5-6H2,1H3
InChIKeyYFKRRUSLGWRMLY-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.92
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 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol?
The IUPAC name of 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol (CID 43223084) is 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol.
What is the SMILES notation for 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol?
The canonical SMILES for 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol is CC(O)CNC1CC2CC=CC21.
What is the InChIKey of 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol?
The InChIKey is YFKRRUSLGWRMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(12)6-11-10-5-8-3-2-4-9(8)10/h2,4,7-12H,3,5-6H2,1H3.
What are the key properties of 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol?
1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.2.0]hept-3-enylamino)propan-2-ol is sourced from PubChem (CID 43223084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).