(E)-N-butyl-3-cyclopropylprop-2-enamide

C10H17NO — CID 127130290

IUPAC(E)-N-butyl-3-cyclopropylprop-2-enamide
SMILESCCCCNC(=O)/C=C/C1CC1
InChIInChI=1S/C10H17NO/c1-2-3-8-11-10(12)7-6-9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,11,12)/b7-6+
InChIKeyPEZJHGRZHUKPDJ-VOTSOKGWSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds5

About (E)-N-butyl-3-cyclopropylprop-2-enamide

(E)-N-butyl-3-cyclopropylprop-2-enamide (PubChem CID 127130290) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-N-butyl-3-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-3-cyclopropylprop-2-enamide
PubChem CID127130290
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-N-butyl-3-cyclopropylprop-2-enamide
SMILESCCCCNC(=O)/C=C/C1CC1
InChIInChI=1S/C10H17NO/c1-2-3-8-11-10(12)7-6-9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,11,12)/b7-6+
InChIKeyPEZJHGRZHUKPDJ-VOTSOKGWSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-butyl-3-cyclopropylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-3-cyclopropylprop-2-enamide?
The IUPAC name of (E)-N-butyl-3-cyclopropylprop-2-enamide (CID 127130290) is (E)-N-butyl-3-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-N-butyl-3-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-N-butyl-3-cyclopropylprop-2-enamide is CCCCNC(=O)/C=C/C1CC1.
What is the InChIKey of (E)-N-butyl-3-cyclopropylprop-2-enamide?
The InChIKey is PEZJHGRZHUKPDJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-8-11-10(12)7-6-9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,11,12)/b7-6+.
What are the key properties of (E)-N-butyl-3-cyclopropylprop-2-enamide?
(E)-N-butyl-3-cyclopropylprop-2-enamide has a molecular weight of 167.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-3-cyclopropylprop-2-enamide is sourced from PubChem (CID 127130290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).