N-benzyl-N-cyclopropylprop-2-enamide

C13H15NO — CID 43616578

IUPACN-benzyl-N-cyclopropylprop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H15NO/c1-2-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyIAUPQUQWYMQABM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.36
Rot. Bonds4

About N-benzyl-N-cyclopropylprop-2-enamide

N-benzyl-N-cyclopropylprop-2-enamide (PubChem CID 43616578) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-benzyl-N-cyclopropylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropylprop-2-enamide
PubChem CID43616578
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-benzyl-N-cyclopropylprop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C13H15NO/c1-2-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyIAUPQUQWYMQABM-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
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-benzyl-N-cyclopropylprop-2-enamide?
The IUPAC name of N-benzyl-N-cyclopropylprop-2-enamide (CID 43616578) is N-benzyl-N-cyclopropylprop-2-enamide.
What is the SMILES notation for N-benzyl-N-cyclopropylprop-2-enamide?
The canonical SMILES for N-benzyl-N-cyclopropylprop-2-enamide is C=CC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropylprop-2-enamide?
The InChIKey is IAUPQUQWYMQABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-13(15)14(12-8-9-12)10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2.
What are the key properties of N-benzyl-N-cyclopropylprop-2-enamide?
N-benzyl-N-cyclopropylprop-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropylprop-2-enamide is sourced from PubChem (CID 43616578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).