N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide

C9H18N2O2 — CID 63715754

IUPACN-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCO
InChIInChI=1S/C9H18N2O2/c1-7-5-10-6-8(7)9(13)11-3-2-4-12/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyHLBDPFQEVBXYTE-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.66
Rot. Bonds4

About N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide

N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715754) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63715754
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCO
InChIInChI=1S/C9H18N2O2/c1-7-5-10-6-8(7)9(13)11-3-2-4-12/h7-8,10,12H,2-6H2,1H3,(H,11,13)
InChIKeyHLBDPFQEVBXYTE-UHFFFAOYSA-N
XLogP-0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-propan-2-yloxypropyl)pyrrolidine-3-carboxamide
CID 63006159
N-(3-hydroxypropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 43419680
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63713983
N-(3-hydroxybutyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 64458735
N-(3-hydroxy-2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 65031817
N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 65036334
N-(3-hydroxy-2,2-dimethylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 81649987
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 104857614
N-(2,2-difluoro-3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 104857795
N-(2,2-difluoro-3-hydroxypropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 104858303
N-(2,2-difluoro-3-hydroxypropyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 104858304
(3S,4S)-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 105573350

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide (CID 63715754) is N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is HLBDPFQEVBXYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-5-10-6-8(7)9(13)11-3-2-4-12/h7-8,10,12H,2-6H2,1H3,(H,11,13).
What are the key properties of N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide?
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).