3-cyclopropyl-N-pyridin-3-ylbut-2-enamide

C12H14N2O — CID 47303477

IUPAC3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
SMILESCC(=CC(=O)Nc1cccnc1)C1CC1
InChIInChI=1S/C12H14N2O/c1-9(10-4-5-10)7-12(15)14-11-3-2-6-13-8-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
InChIKeyUJMSPNJXNQVLKO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.38
Rot. Bonds3

About 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide

3-cyclopropyl-N-pyridin-3-ylbut-2-enamide (PubChem CID 47303477) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide.

Molecular Properties

Compound Name3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
PubChem CID47303477
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-cyclopropyl-N-pyridin-3-ylbut-2-enamide
SMILESCC(=CC(=O)Nc1cccnc1)C1CC1
InChIInChI=1S/C12H14N2O/c1-9(10-4-5-10)7-12(15)14-11-3-2-6-13-8-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)
InChIKeyUJMSPNJXNQVLKO-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
The IUPAC name of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide (CID 47303477) is 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide.
What is the SMILES notation for 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
The canonical SMILES for 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide is CC(=CC(=O)Nc1cccnc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
The InChIKey is UJMSPNJXNQVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9(10-4-5-10)7-12(15)14-11-3-2-6-13-8-11/h2-3,6-8,10H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide?
3-cyclopropyl-N-pyridin-3-ylbut-2-enamide has a molecular weight of 202.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-pyridin-3-ylbut-2-enamide is sourced from PubChem (CID 47303477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).