trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide

C8H15NO — CID 163545109

IUPACtrans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C[C@@]1(C)C(N)=O
InChIInChI=1S/C8H15NO/c1-5(2)6-4-8(6,3)7(9)10/h5-6H,4H2,1-3H3,(H2,9,10)/t6-,8+/m0/s1
InChIKeyFEJWYRVOBQOQJF-POYBYMJQSA-N
MW141.21 g/mol
LogP1.15
Rot. Bonds2

About trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide

trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 163545109) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID163545109
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Nametrans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@@H]1C[C@@]1(C)C(N)=O
InChIInChI=1S/C8H15NO/c1-5(2)6-4-8(6,3)7(9)10/h5-6H,4H2,1-3H3,(H2,9,10)/t6-,8+/m0/s1
InChIKeyFEJWYRVOBQOQJF-POYBYMJQSA-N
XLogP1.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide (CID 163545109) is trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide is CC(C)[C@@H]1C[C@@]1(C)C(N)=O.
What is the InChIKey of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is FEJWYRVOBQOQJF-POYBYMJQSA-N. The full InChI is InChI=1S/C8H15NO/c1-5(2)6-4-8(6,3)7(9)10/h5-6H,4H2,1-3H3,(H2,9,10)/t6-,8+/m0/s1.
What are the key properties of trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide?
trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 141.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-methyl-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 163545109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).