trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide

C10H17NO — CID 130646724

IUPACtrans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NC1(C)CCC1
InChIInChI=1S/C10H17NO/c1-7-6-8(7)9(12)11-10(2)4-3-5-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyYMUPYNDQBUWJFW-YUMQZZPRSA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds2

About trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide (PubChem CID 130646724) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
PubChem CID130646724
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nametrans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NC1(C)CCC1
InChIInChI=1S/C10H17NO/c1-7-6-8(7)9(12)11-10(2)4-3-5-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyYMUPYNDQBUWJFW-YUMQZZPRSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092072
2-[(1,4-dimethylcyclohexyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975804
2-methyl-N-[(1-methylcyclobutyl)methyl]cyclopropane-1-carboxamide
CID 130727562
1-methyl-N'-(2-methylcyclopropanecarbonyl)cyclohexane-1-carbohydrazide
CID 123381303
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092184
N-[(1-fluorocyclobutyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 126991129
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114113509
2,2-difluoro-3-methyl-N-(1-methylcyclopropyl)cyclopropane-1-carboxamide
CID 130774809
N-(1-methylcyclobutyl)propanamide
CID 115766065
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopropane-1-carboxamide
CID 106300320
N-(1-methylcyclopentyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255020

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide (CID 130646724) is trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NC1(C)CCC1.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide?
The InChIKey is YMUPYNDQBUWJFW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-6-8(7)9(12)11-10(2)4-3-5-10/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130646724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).