2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol

C11H21NO — CID 131234982

IUPAC2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol
SMILESC/C=C/CNC1(C)CCCC1(C)O
InChIInChI=1S/C11H21NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h4-5,12-13H,6-9H2,1-3H3/b5-4+
InChIKeyJAKJQPNBNZQXIQ-SNAWJCMRSA-N
MW183.29 g/mol
LogP1.85
Rot. Bonds3

About 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol

2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol (PubChem CID 131234982) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol
PubChem CID131234982
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol
SMILESC/C=C/CNC1(C)CCCC1(C)O
InChIInChI=1S/C11H21NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h4-5,12-13H,6-9H2,1-3H3/b5-4+
InChIKeyJAKJQPNBNZQXIQ-SNAWJCMRSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.85
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-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol (CID 131234982) is 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol is C/C=C/CNC1(C)CCCC1(C)O.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol?
The InChIKey is JAKJQPNBNZQXIQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-9-12-10(2)7-6-8-11(10,3)13/h4-5,12-13H,6-9H2,1-3H3/b5-4+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol?
2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]amino]-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 131234982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).