1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide

C10H18N2O — CID 166176322

IUPAC1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCNC2)CCC1
InChIInChI=1S/C10H18N2O/c1-10(4-2-5-10)9(13)12-8-3-6-11-7-8/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyGDHOGERKVGVACL-QMMMGPOBSA-N
MW182.27 g/mol
LogP0.65
Rot. Bonds2

About 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide

1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 166176322) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID166176322
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCNC2)CCC1
InChIInChI=1S/C10H18N2O/c1-10(4-2-5-10)9(13)12-8-3-6-11-7-8/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyGDHOGERKVGVACL-QMMMGPOBSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
2-methyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 131019627
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 175146889
1-cyclohexyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;ethane
CID 91284589
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
CID 175146888
N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166513683
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
N-(4-aminocyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63123013
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 166176322) is 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide is CC1(C(=O)N[C@H]2CCNC2)CCC1.
What is the InChIKey of 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is GDHOGERKVGVACL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(4-2-5-10)9(13)12-8-3-6-11-7-8/h8,11H,2-7H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166176322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).