N-(2-methylpropylidene)propanamide

C7H13NO — CID 143780895

IUPACN-(2-methylpropylidene)propanamide
SMILESCCC(=O)/N=C/C(C)C
InChIInChI=1S/C7H13NO/c1-4-7(9)8-5-6(2)3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyRYLMBDWYZAEWSL-VMPITWQZSA-N
MW127.19 g/mol
LogP1.65
Rot. Bonds2

About N-(2-methylpropylidene)propanamide

N-(2-methylpropylidene)propanamide (PubChem CID 143780895) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(2-methylpropylidene)propanamide.

Molecular Properties

Compound NameN-(2-methylpropylidene)propanamide
PubChem CID143780895
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(2-methylpropylidene)propanamide
SMILESCCC(=O)/N=C/C(C)C
InChIInChI=1S/C7H13NO/c1-4-7(9)8-5-6(2)3/h5-6H,4H2,1-3H3/b8-5+
InChIKeyRYLMBDWYZAEWSL-VMPITWQZSA-N
XLogP1.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylidene)propanamide?
The IUPAC name of N-(2-methylpropylidene)propanamide (CID 143780895) is N-(2-methylpropylidene)propanamide.
What is the SMILES notation for N-(2-methylpropylidene)propanamide?
The canonical SMILES for N-(2-methylpropylidene)propanamide is CCC(=O)/N=C/C(C)C.
What is the InChIKey of N-(2-methylpropylidene)propanamide?
The InChIKey is RYLMBDWYZAEWSL-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(9)8-5-6(2)3/h5-6H,4H2,1-3H3/b8-5+.
What are the key properties of N-(2-methylpropylidene)propanamide?
N-(2-methylpropylidene)propanamide has a molecular weight of 127.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylidene)propanamide is sourced from PubChem (CID 143780895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).