cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide

C7H11NO3 — CID 46183299

IUPACcis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C7H11NO3/c1-8(11-2)7(10)6-3-5(6)4-9/h4-6H,3H2,1-2H3/t5-,6+/m0/s1
InChIKeyHSBDKIPDUCUMCA-NTSWFWBYSA-N
MW157.17 g/mol
LogP-0.16
Rot. Bonds3

About cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide

cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 46183299) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID46183299
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namecis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@H]1C=O
InChIInChI=1S/C7H11NO3/c1-8(11-2)7(10)6-3-5(6)4-9/h4-6H,3H2,1-2H3/t5-,6+/m0/s1
InChIKeyHSBDKIPDUCUMCA-NTSWFWBYSA-N
XLogP-0.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-methoxy-N-methylacetamide
CID 22473766
(3R)-N-methoxy-N,3-dimethyl-5-oxopentanamide
CID 10583349
N-methoxy-N-methyl-5-oxopentanamide
CID 85717358
N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 45084206
(1R,2R)-N-methoxy-N,2-dimethylcyclopropanecarboxamide
CID 90253492
trans-(1S,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 94063503
cis-(1R,2S)-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 94063504
N-methoxy-N-methyl-2-[1-(2-oxoethyl)cyclopropyl]acetamide
CID 138659257
2-cyclopropyl-N-ethoxy-N-methylacetamide
CID 154931963
N-hydroxy-N,4-dimethyl-5-oxopentanamide
CID 169940308
2-ethyl-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 173655517
trans-(1S,2R)-2-formyl-N-methoxy-N,2-dimethylcyclopropane-1-carboxamide
CID 401711

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 46183299) is cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)[C@@H]1C[C@H]1C=O.
What is the InChIKey of cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is HSBDKIPDUCUMCA-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-8(11-2)7(10)6-3-5(6)4-9/h4-6H,3H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 157.17 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-formyl-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46183299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).