N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C12H23ClN2O — CID 119782174

IUPACN-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1(CNC(=O)C2CCNC2)CCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-12(5-3-6-12)9-14-11(15)10-4-7-13-8-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyIAHOMPAEIPJVAO-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.71
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119782174) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119782174
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC NameN-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1(CNC(=O)C2CCNC2)CCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-12(5-3-6-12)9-14-11(15)10-4-7-13-8-10;/h10,13H,2-9H2,1H3,(H,14,15);1H
InChIKeyIAHOMPAEIPJVAO-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
N-[(1-ethylcyclobutyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119782167
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161187
N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 104872740
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
(3S)-N-(1-ethylcyclobutyl)pyrrolidine-3-carboxamide
CID 130635677
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
3-amino-N-[(1-ethylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119782141

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119782174) is N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is CCC1(CNC(=O)C2CCNC2)CCC1.Cl.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is IAHOMPAEIPJVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-2-12(5-3-6-12)9-14-11(15)10-4-7-13-8-10;/h10,13H,2-9H2,1H3,(H,14,15);1H.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119782174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).