1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide

C9H15NO2 — CID 137408252

IUPAC1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(C2CC2)CC1
InChIInChI=1S/C9H15NO2/c1-10(12-2)8(11)9(5-6-9)7-3-4-7/h7H,3-6H2,1-2H3
InChIKeyQTJKMRJWVVYDTF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.20
Rot. Bonds3

About 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide

1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 137408252) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID137408252
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(C2CC2)CC1
InChIInChI=1S/C9H15NO2/c1-10(12-2)8(11)9(5-6-9)7-3-4-7/h7H,3-6H2,1-2H3
InChIKeyQTJKMRJWVVYDTF-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.20
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 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 137408252) is 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)C1(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is QTJKMRJWVVYDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10(12-2)8(11)9(5-6-9)7-3-4-7/h7H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide?
1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 137408252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).