(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide

C14H25NO2 — CID 59193708

IUPAC(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-8-15(3)14(17)13-10-12(16)9-11(13)2/h4,11-13,16H,1,5-10H2,2-3H3/t11-,12+,13-/m1/s1
InChIKeyXSDNWIHLRUTVMR-FRRDWIJNSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds6

About (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide

(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide (PubChem CID 59193708) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide
PubChem CID59193708
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C
InChIInChI=1S/C14H25NO2/c1-4-5-6-7-8-15(3)14(17)13-10-12(16)9-11(13)2/h4,11-13,16H,1,5-10H2,2-3H3/t11-,12+,13-/m1/s1
InChIKeyXSDNWIHLRUTVMR-FRRDWIJNSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide (CID 59193708) is (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide is C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C.
What is the InChIKey of (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is XSDNWIHLRUTVMR-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-6-7-8-15(3)14(17)13-10-12(16)9-11(13)2/h4,11-13,16H,1,5-10H2,2-3H3/t11-,12+,13-/m1/s1.
What are the key properties of (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide?
(1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-hex-5-enyl-4-hydroxy-N,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 59193708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).