N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide

C8H14N2O — CID 118327148

IUPACN-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide
SMILESCCC(=O)N/C(=N/C)C1CC1
InChIInChI=1S/C8H14N2O/c1-3-7(11)10-8(9-2)6-4-5-6/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyNTBGUAQXYZRAGR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds2

About N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide

N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide (PubChem CID 118327148) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide.

Molecular Properties

Compound NameN-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide
PubChem CID118327148
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide
SMILESCCC(=O)N/C(=N/C)C1CC1
InChIInChI=1S/C8H14N2O/c1-3-7(11)10-8(9-2)6-4-5-6/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyNTBGUAQXYZRAGR-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide?
The IUPAC name of N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide (CID 118327148) is N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide.
What is the SMILES notation for N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide?
The canonical SMILES for N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide is CCC(=O)N/C(=N/C)C1CC1.
What is the InChIKey of N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide?
The InChIKey is NTBGUAQXYZRAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-7(11)10-8(9-2)6-4-5-6/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide?
N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide has a molecular weight of 154.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(C-cyclopropyl-N-methylcarbonimidoyl)propanamide is sourced from PubChem (CID 118327148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).