3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide

C10H17NO — CID 130157235

IUPAC3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCC1CC1C
InChIInChI=1S/C10H17NO/c1-7(2)4-10(12)11-6-9-5-8(9)3/h4,8-9H,5-6H2,1-3H3,(H,11,12)
InChIKeyZSWGPTTVZLZYQD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide

3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide (PubChem CID 130157235) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide
PubChem CID130157235
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide
SMILESCC(C)=CC(=O)NCC1CC1C
InChIInChI=1S/C10H17NO/c1-7(2)4-10(12)11-6-9-5-8(9)3/h4,8-9H,5-6H2,1-3H3,(H,11,12)
InChIKeyZSWGPTTVZLZYQD-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide?
The IUPAC name of 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide (CID 130157235) is 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide.
What is the SMILES notation for 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide?
The canonical SMILES for 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide is CC(C)=CC(=O)NCC1CC1C.
What is the InChIKey of 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide?
The InChIKey is ZSWGPTTVZLZYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)4-10(12)11-6-9-5-8(9)3/h4,8-9H,5-6H2,1-3H3,(H,11,12).
What are the key properties of 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide?
3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methylcyclopropyl)methyl]but-2-enamide is sourced from PubChem (CID 130157235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).