1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride

C11H21ClN2O — CID 175146888

IUPAC1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
SMILESCC1CCC1(C)C(=O)N[C@H]1CCNC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-8-3-5-11(8,2)10(14)13-9-4-6-12-7-9;/h8-9,12H,3-7H2,1-2H3,(H,13,14);1H/t8?,9-,11?;/m0./s1
InChIKeyDRAKMTHYCIPLLB-YOHFEEJFSA-N
MW232.75 g/mol
LogP1.32
Rot. Bonds2

About 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride

1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride (PubChem CID 175146888) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
PubChem CID175146888
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
SMILESCC1CCC1(C)C(=O)N[C@H]1CCNC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-8-3-5-11(8,2)10(14)13-9-4-6-12-7-9;/h8-9,12H,3-7H2,1-2H3,(H,13,14);1H/t8?,9-,11?;/m0./s1
InChIKeyDRAKMTHYCIPLLB-YOHFEEJFSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 175146889
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
2-methyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 131019627
N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166513683
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
1-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 104645453
1-cyclohexyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;ethane
CID 91284589
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 130637858
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride?
The IUPAC name of 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride (CID 175146888) is 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride?
The canonical SMILES for 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride is CC1CCC1(C)C(=O)N[C@H]1CCNC1.Cl.
What is the InChIKey of 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride?
The InChIKey is DRAKMTHYCIPLLB-YOHFEEJFSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-8-3-5-11(8,2)10(14)13-9-4-6-12-7-9;/h8-9,12H,3-7H2,1-2H3,(H,13,14);1H/t8?,9-,11?;/m0./s1.
What are the key properties of 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride?
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride is sourced from PubChem (CID 175146888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).