trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide

C10H18N2O — CID 131019581

IUPACtrans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NC1CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-7-5-9(7)10(13)11-8-3-4-12(2)6-8/h7-9H,3-6H2,1-2H3,(H,11,13)/t7-,8?,9-/m0/s1
InChIKeyYGQJCRHKNPJEJN-SMOXQLQSSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds2

About trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 131019581) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
PubChem CID131019581
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nametrans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NC1CCN(C)C1
InChIInChI=1S/C10H18N2O/c1-7-5-9(7)10(13)11-8-3-4-12(2)6-8/h7-9H,3-6H2,1-2H3,(H,11,13)/t7-,8?,9-/m0/s1
InChIKeyYGQJCRHKNPJEJN-SMOXQLQSSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(1-methylpyrrolidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511677
2-methyl-N-(1-methylpyrrolidin-3-yl)pyrrolidine-3-carboxamide
CID 79388554
2-[(1-methylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792023
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
4-(methylamino)-N-(1-methylpyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115150628
N-(1-methylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 61465348
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
4-amino-N-(1-methylpyrrolidin-3-yl)cyclopent-2-ene-1-carboxamide
CID 79207695
1,1-dimethyl-3-(1-methylpyrrolidin-3-yl)urea
CID 18722887
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
2-methyl-N-(3-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130668952

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide (CID 131019581) is trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NC1CCN(C)C1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is YGQJCRHKNPJEJN-SMOXQLQSSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-5-9(7)10(13)11-8-3-4-12(2)6-8/h7-9H,3-6H2,1-2H3,(H,11,13)/t7-,8?,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131019581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).