N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C13H24N2O2 — CID 77158348

IUPACN-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESC=CCCCCCN(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-7-8-15(2)13(17)12-9-11(16)10-14-12/h3,11-12,14,16H,1,4-10H2,2H3
InChIKeyJWHIMYIKRZZDMP-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.91
Rot. Bonds7

About N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 77158348) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID77158348
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESC=CCCCCCN(C)C(=O)C1CC(O)CN1
InChIInChI=1S/C13H24N2O2/c1-3-4-5-6-7-8-15(2)13(17)12-9-11(16)10-14-12/h3,11-12,14,16H,1,4-10H2,2H3
InChIKeyJWHIMYIKRZZDMP-UHFFFAOYSA-N
XLogP0.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methoxy-N-methyl-N-pent-4-enylpyrrolidine-2-carboxamide
CID 115753468
N-hex-5-enyl-3-hydroxy-N-methylcyclopentane-1-carboxamide
CID 141167486
(2S)-N-methyl-N-pentylaziridine-2-carboxamide
CID 170218604
N-hept-6-enyl-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119328117
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
3-amino-N-hept-6-enyl-N-methylcyclopentane-1-carboxamide
CID 119791641
(2R,4S)-N-(2,2-difluoroethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 120553005
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 114948997
(2R,4S)-N-[3-(4-chlorophenoxy)propyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138836
(2R,4S)-4-hydroxy-N,N-dipropylpyrrolidine-2-carboxamide;hydrochloride
CID 120552956
(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 124516580

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 77158348) is N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide is C=CCCCCCN(C)C(=O)C1CC(O)CN1.
What is the InChIKey of N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is JWHIMYIKRZZDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-4-5-6-7-8-15(2)13(17)12-9-11(16)10-14-12/h3,11-12,14,16H,1,4-10H2,2H3.
What are the key properties of N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 77158348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).