N-pyrrolidin-3-ylcyclobutanecarboxamide

C9H16N2O — CID 43603619

IUPACN-pyrrolidin-3-ylcyclobutanecarboxamide
SMILESO=C(NC1CCNC1)C1CCC1
InChIInChI=1S/C9H16N2O/c12-9(7-2-1-3-7)11-8-4-5-10-6-8/h7-8,10H,1-6H2,(H,11,12)
InChIKeyXLRKVKJJUWSHIE-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.26
Rot. Bonds2

About N-pyrrolidin-3-ylcyclobutanecarboxamide

N-pyrrolidin-3-ylcyclobutanecarboxamide (PubChem CID 43603619) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-pyrrolidin-3-ylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylcyclobutanecarboxamide
PubChem CID43603619
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-pyrrolidin-3-ylcyclobutanecarboxamide
SMILESO=C(NC1CCNC1)C1CCC1
InChIInChI=1S/C9H16N2O/c12-9(7-2-1-3-7)11-8-4-5-10-6-8/h7-8,10H,1-6H2,(H,11,12)
InChIKeyXLRKVKJJUWSHIE-UHFFFAOYSA-N
XLogP0.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidine, 1-[(2S,3R)-2-amino-3-methyl-1-oxopentyl]-
CID 9794073
(2S,3S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 9796352
2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one
CID 10130255
(S)-2-amino-4-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 22690988
N-[3-(methylamino)propyl]cyclobutanecarboxamide
CID 43600646
2-Amino-3-methyl-1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 61226616
(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 75411503
N-[(3S4R)-4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL]-4-methylpentanamide
CID 91922784
(3S,4R)-3-Amino-4-ethylpyrrolidin-2-one
CID 10654243
N-(3-aminocyclobutyl)cyclobutanecarboxamide hydrochloride
CID 54592778
N-[1-(cyclobutylcarbonyl)tetrahydro-1H-pyrrol-3-yl]propanamide
CID 53016308
N-[1-(cyclobutylcarbonyl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopropanecarboxamide
CID 53016324

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylcyclobutanecarboxamide?
The IUPAC name of N-pyrrolidin-3-ylcyclobutanecarboxamide (CID 43603619) is N-pyrrolidin-3-ylcyclobutanecarboxamide.
What is the SMILES notation for N-pyrrolidin-3-ylcyclobutanecarboxamide?
The canonical SMILES for N-pyrrolidin-3-ylcyclobutanecarboxamide is O=C(NC1CCNC1)C1CCC1.
What is the InChIKey of N-pyrrolidin-3-ylcyclobutanecarboxamide?
The InChIKey is XLRKVKJJUWSHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c12-9(7-2-1-3-7)11-8-4-5-10-6-8/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of N-pyrrolidin-3-ylcyclobutanecarboxamide?
N-pyrrolidin-3-ylcyclobutanecarboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylcyclobutanecarboxamide is sourced from PubChem (CID 43603619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).