2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one

C18H21NO — CID 67129694

IUPAC2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO/c20-18-9-5-4-8-17(18)16-10-12-19(13-11-16)14-15-6-2-1-3-7-15/h1-3,6-8,10H,4-5,9,11-14H2
InChIKeyRMARFKUHZXXDNK-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.50
Rot. Bonds3

About 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one (PubChem CID 67129694) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
PubChem CID67129694
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NO/c20-18-9-5-4-8-17(18)16-10-12-19(13-11-16)14-15-6-2-1-3-7-15/h1-3,6-8,10H,4-5,9,11-14H2
InChIKeyRMARFKUHZXXDNK-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one?
The IUPAC name of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one (CID 67129694) is 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one is O=C1CCCC=C1C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one?
The InChIKey is RMARFKUHZXXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18-9-5-4-8-17(18)16-10-12-19(13-11-16)14-15-6-2-1-3-7-15/h1-3,6-8,10H,4-5,9,11-14H2.
What are the key properties of 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one?
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one has a molecular weight of 267.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 67129694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).