cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide

C7H11NO2 — CID 89112285

IUPACcis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C7H11NO2/c1-4(9)5-3-6(5)7(10)8-2/h5-6H,3H2,1-2H3,(H,8,10)/t5-,6-/m1/s1
InChIKeyZDRUIWIUQQJNOH-PHDIDXHHSA-N
MW141.17 g/mol
LogP-0.04
Rot. Bonds2

About cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide

cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide (PubChem CID 89112285) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
PubChem CID89112285
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namecis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H]1C(C)=O
InChIInChI=1S/C7H11NO2/c1-4(9)5-3-6(5)7(10)8-2/h5-6H,3H2,1-2H3,(H,8,10)/t5-,6-/m1/s1
InChIKeyZDRUIWIUQQJNOH-PHDIDXHHSA-N
XLogP-0.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide (CID 89112285) is cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide is CNC(=O)[C@@H]1C[C@@H]1C(C)=O.
What is the InChIKey of cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZDRUIWIUQQJNOH-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4(9)5-3-6(5)7(10)8-2/h5-6H,3H2,1-2H3,(H,8,10)/t5-,6-/m1/s1.
What are the key properties of cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide has a molecular weight of 141.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-acetyl-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 89112285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).