cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide

C7H13NO2 — CID 94063504

IUPACcis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-5-4-6(5)7(9)8(2)10-3/h5-6H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeyLNBSKUKOUFBCTO-NTSWFWBYSA-N
MW143.19 g/mol
LogP0.66
Rot. Bonds2

About cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide

cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 94063504) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID94063504
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namecis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C7H13NO2/c1-5-4-6(5)7(9)8(2)10-3/h5-6H,4H2,1-3H3/t5-,6+/m0/s1
InChIKeyLNBSKUKOUFBCTO-NTSWFWBYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide (CID 94063504) is cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is LNBSKUKOUFBCTO-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-4-6(5)7(9)8(2)10-3/h5-6H,4H2,1-3H3/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 143.19 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 94063504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).