(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone

C14H21NO2 — CID 170018146

IUPAC(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone
SMILESC=CC1=C(CC)CN(C(=O)C2(OC)CC2)CC1
InChIInChI=1S/C14H21NO2/c1-4-11-6-9-15(10-12(11)5-2)13(16)14(17-3)7-8-14/h4H,1,5-10H2,2-3H3
InChIKeyWFNHJNUTHCURDB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.29
Rot. Bonds4

About (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone

(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone (PubChem CID 170018146) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone.

Molecular Properties

Compound Name(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone
PubChem CID170018146
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone
SMILESC=CC1=C(CC)CN(C(=O)C2(OC)CC2)CC1
InChIInChI=1S/C14H21NO2/c1-4-11-6-9-15(10-12(11)5-2)13(16)14(17-3)7-8-14/h4H,1,5-10H2,2-3H3
InChIKeyWFNHJNUTHCURDB-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone 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 (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone?
The IUPAC name of (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone (CID 170018146) is (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone.
What is the SMILES notation for (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone?
The canonical SMILES for (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone is C=CC1=C(CC)CN(C(=O)C2(OC)CC2)CC1.
What is the InChIKey of (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone?
The InChIKey is WFNHJNUTHCURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-11-6-9-15(10-12(11)5-2)13(16)14(17-3)7-8-14/h4H,1,5-10H2,2-3H3.
What are the key properties of (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone?
(4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-5-ethyl-3,6-dihydro-2H-pyridin-1-yl)-(1-methoxycyclopropyl)methanone is sourced from PubChem (CID 170018146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).