(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide

C13H23NO2 — CID 145162314

IUPAC(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)C1CC[C@H](O)C1
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-9-14(2)13(16)11-7-8-12(15)10-11/h3,11-12,15H,1,4-10H2,2H3/t11?,12-/m0/s1
InChIKeyCWLAGVIASBXJNS-KIYNQFGBSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds6

About (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide

(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide (PubChem CID 145162314) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
PubChem CID145162314
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)C1CC[C@H](O)C1
InChIInChI=1S/C13H23NO2/c1-3-4-5-6-9-14(2)13(16)11-7-8-12(15)10-11/h3,11-12,15H,1,4-10H2,2H3/t11?,12-/m0/s1
InChIKeyCWLAGVIASBXJNS-KIYNQFGBSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.96
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'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
The IUPAC name of (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide (CID 145162314) is (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide is C=CCCCCN(C)C(=O)C1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
The InChIKey is CWLAGVIASBXJNS-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-4-5-6-9-14(2)13(16)11-7-8-12(15)10-11/h3,11-12,15H,1,4-10H2,2H3/t11?,12-/m0/s1.
What are the key properties of (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
(3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 145162314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).