3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide

C9H18N2O2 — CID 62371161

IUPAC3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CO)C1
InChIInChI=1S/C9H18N2O2/c1-2-4-10-9(13)11-5-3-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyQJWXQTRPKZQRHX-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.42
Rot. Bonds3

About 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide (PubChem CID 62371161) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
PubChem CID62371161
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(CO)C1
InChIInChI=1S/C9H18N2O2/c1-2-4-10-9(13)11-5-3-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13)
InChIKeyQJWXQTRPKZQRHX-UHFFFAOYSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
3-(hydroxymethyl)-N-(4-methylpentyl)pyrrolidine-1-carboxamide
CID 111443668
4-[2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]ethyl]heptanoic acid
CID 115965821
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
3-methoxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 102674016
N-[2-(4-tert-butylphenyl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443632

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide (CID 62371161) is 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide?
The InChIKey is QJWXQTRPKZQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-4-10-9(13)11-5-3-8(6-11)7-12/h8,12H,2-7H2,1H3,(H,10,13).
What are the key properties of 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 62371161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).