N-cyclopropyl-2,3-dimethylbut-2-enamide

C9H15NO — CID 19353002

IUPACN-cyclopropyl-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NC1CC1
InChIInChI=1S/C9H15NO/c1-6(2)7(3)9(11)10-8-4-5-8/h8H,4-5H2,1-3H3,(H,10,11)
InChIKeyFQHRXQUVLWYFOJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.62
Rot. Bonds2

About N-cyclopropyl-2,3-dimethylbut-2-enamide

N-cyclopropyl-2,3-dimethylbut-2-enamide (PubChem CID 19353002) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-cyclopropyl-2,3-dimethylbut-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-2,3-dimethylbut-2-enamide
PubChem CID19353002
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-cyclopropyl-2,3-dimethylbut-2-enamide
SMILESCC(C)=C(C)C(=O)NC1CC1
InChIInChI=1S/C9H15NO/c1-6(2)7(3)9(11)10-8-4-5-8/h8H,4-5H2,1-3H3,(H,10,11)
InChIKeyFQHRXQUVLWYFOJ-UHFFFAOYSA-N
XLogP1.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.62
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 N-cyclopropyl-2,3-dimethylbut-2-enamide?
The IUPAC name of N-cyclopropyl-2,3-dimethylbut-2-enamide (CID 19353002) is N-cyclopropyl-2,3-dimethylbut-2-enamide.
What is the SMILES notation for N-cyclopropyl-2,3-dimethylbut-2-enamide?
The canonical SMILES for N-cyclopropyl-2,3-dimethylbut-2-enamide is CC(C)=C(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2,3-dimethylbut-2-enamide?
The InChIKey is FQHRXQUVLWYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)7(3)9(11)10-8-4-5-8/h8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-cyclopropyl-2,3-dimethylbut-2-enamide?
N-cyclopropyl-2,3-dimethylbut-2-enamide has a molecular weight of 153.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,3-dimethylbut-2-enamide is sourced from PubChem (CID 19353002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).