N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C9H16N2O2 — CID 130146070

IUPACN-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CNC(CO)C1)C1CC1
InChIInChI=1S/C9H16N2O2/c12-5-8-3-7(4-10-8)11-9(13)6-1-2-6/h6-8,10,12H,1-5H2,(H,11,13)
InChIKeyUIQUZNDGRIZVDV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.76
Rot. Bonds3

About N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 130146070) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID130146070
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CNC(CO)C1)C1CC1
InChIInChI=1S/C9H16N2O2/c12-5-8-3-7(4-10-8)11-9(13)6-1-2-6/h6-8,10,12H,1-5H2,(H,11,13)
InChIKeyUIQUZNDGRIZVDV-UHFFFAOYSA-N
XLogP-0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
CID 67454296
N-(5-methylpiperidin-3-yl)cyclopropanecarboxamide
CID 173311262
methyl 4-[[4-[(5-methoxycarbonylpyrrolidin-3-yl)carbamoyl]cyclohexanecarbonyl]amino]pyrrolidine-2-carboxylate
CID 143889099
ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 140523794
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
(3R,6R)-6-(hydroxymethyl)piperidine-3-carboxylic acid
CID 91799028
1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]ethanone
CID 167202980
4-methyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995297
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 130146070) is N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CNC(CO)C1)C1CC1.
What is the InChIKey of N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is UIQUZNDGRIZVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-5-8-3-7(4-10-8)11-9(13)6-1-2-6/h6-8,10,12H,1-5H2,(H,11,13).
What are the key properties of N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 130146070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).