N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide

C13H23NO2 — CID 141167486

IUPACN-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)C1CCC(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
InChIKeyCWLAGVIASBXJNS-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.96
Rot. Bonds6

About N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide

N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide (PubChem CID 141167486) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
PubChem CID141167486
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
SMILESC=CCCCCN(C)C(=O)C1CCC(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
InChIKeyCWLAGVIASBXJNS-UHFFFAOYSA-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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Related Compounds

3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 77158348
N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride
CID 119330191
N-hex-5-enyl-N-methyl-2-oxabicyclo[2.2.1]heptane-5-carboxamide
CID 129178537
N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119328117
(1R,2R,4R)-1-N-[(1R,2S)-2-ethenyl-1-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
CID 88986056
N-methyl-N-pent-4-enylpropanamide
CID 115640317
2-(aminomethyl)-N-methyl-N-pent-4-enylcyclopentane-1-carboxamide
CID 115747690
4-hydroxy-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115150844
N-hex-5-enyl-N-methylformamide;methylcyclopropane;propan-2-one
CID 143844745
trans-ethyl (1R,2S)-2-ethenyl-1-[2-[(1R,2R,4S)-2-[hex-5-enyl(methyl)carbamoyl]-4-hydroxycyclopentyl]-2-oxoethyl]cyclopropane-1-carboxylate
CID 58535000
(1R,2R,4S)-1-N-[(1R,2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-2-N-hex-5-enyl-4-hydroxy-2-N-methylcyclopentane-1,2-dicarboxamide
CID 89069414

Frequently Asked Questions

What is the IUPAC name of N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide (CID 141167486) is N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide is C=CCCCCN(C)C(=O)C1CCC(O)C1.
What is the InChIKey of N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
The InChIKey is CWLAGVIASBXJNS-UHFFFAOYSA-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.
What are the key properties of N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide?
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 N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 141167486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).