N-cyano-2,3-dimethylcyclopropane-1-carboxamide

C7H10N2O — CID 163844316

IUPACN-cyano-2,3-dimethylcyclopropane-1-carboxamide
SMILESCC1C(C)C1C(=O)NC#N
InChIInChI=1S/C7H10N2O/c1-4-5(2)6(4)7(10)9-3-8/h4-6H,1-2H3,(H,9,10)
InChIKeyOOUAONZPGZACRX-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.49
Rot. Bonds1

About N-cyano-2,3-dimethylcyclopropane-1-carboxamide

N-cyano-2,3-dimethylcyclopropane-1-carboxamide (PubChem CID 163844316) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-cyano-2,3-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyano-2,3-dimethylcyclopropane-1-carboxamide
PubChem CID163844316
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-cyano-2,3-dimethylcyclopropane-1-carboxamide
SMILESCC1C(C)C1C(=O)NC#N
InChIInChI=1S/C7H10N2O/c1-4-5(2)6(4)7(10)9-3-8/h4-6H,1-2H3,(H,9,10)
InChIKeyOOUAONZPGZACRX-UHFFFAOYSA-N
XLogP0.49
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

Dimethylcyclopropanecarboxamide
CID 68955386
cis-(2R,3S)-2,3-dimethylcyclopropane-1-carboxamide
CID 55284163
N-cyanopentanamide
CID 57250959
N-cyano-3-methylbutanamide
CID 58439458
N-cyano-4-methylpentanamide
CID 79193781
N-cyano-2-ethylbutanamide
CID 79195184
N-cyano-2-methylpentanamide
CID 79195283
N-cyano-2-methylbutanamide
CID 79203997
N-cyano-(ethylvaleramidate)
CID 86745198
trans-(2S,3S)-2,3-dimethylcyclopropane-1-carboxamide
CID 55288547
N-cyano-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 79194466
N-cyano-2-methylcyclopropane-1-carboxamide
CID 79203571

Frequently Asked Questions

What is the IUPAC name of N-cyano-2,3-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-cyano-2,3-dimethylcyclopropane-1-carboxamide (CID 163844316) is N-cyano-2,3-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-cyano-2,3-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-cyano-2,3-dimethylcyclopropane-1-carboxamide is CC1C(C)C1C(=O)NC#N.
What is the InChIKey of N-cyano-2,3-dimethylcyclopropane-1-carboxamide?
The InChIKey is OOUAONZPGZACRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-5(2)6(4)7(10)9-3-8/h4-6H,1-2H3,(H,9,10).
What are the key properties of N-cyano-2,3-dimethylcyclopropane-1-carboxamide?
N-cyano-2,3-dimethylcyclopropane-1-carboxamide has a molecular weight of 138.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2,3-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 163844316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).