1-butyl-5-ethyl-6-propylpyridin-2-one

C14H23NO — CID 154257112

IUPAC1-butyl-5-ethyl-6-propylpyridin-2-one
SMILESCCCCn1c(CCC)c(CC)ccc1=O
InChIInChI=1S/C14H23NO/c1-4-7-11-15-13(8-5-2)12(6-3)9-10-14(15)16/h9-10H,4-8,11H2,1-3H3
InChIKeyBEKLWEVUHDLAKN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds6

About 1-butyl-5-ethyl-6-propylpyridin-2-one

1-butyl-5-ethyl-6-propylpyridin-2-one (PubChem CID 154257112) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-butyl-5-ethyl-6-propylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-5-ethyl-6-propylpyridin-2-one
PubChem CID154257112
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-butyl-5-ethyl-6-propylpyridin-2-one
SMILESCCCCn1c(CCC)c(CC)ccc1=O
InChIInChI=1S/C14H23NO/c1-4-7-11-15-13(8-5-2)12(6-3)9-10-14(15)16/h9-10H,4-8,11H2,1-3H3
InChIKeyBEKLWEVUHDLAKN-UHFFFAOYSA-N
XLogP3.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4E,6Z)-2,4,6-Decatrienoic acid dehydropiperidide
CID 131751449
(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 44561415
(2E,4E,6E)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,6-trien-1-one
CID 14427403
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-
CID 14427404
(2E,4E,8Z)-1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 14427408
Pyridine, 1,2,3,4-tetrahydro-1-(1-oxo-2,4,6-decatrienyl)-, (E,E,Z)-(9CI)
CID 72731314
1-(3,4-dihydro-2H-pyridin-1-yl)deca-2,4,8-trien-1-one
CID 72731316
2-methyl-6,7-dihydro-5H-indolizin-3-one
CID 122397881
1,5,6-Trimethyl-2-pyridone
CID 12735847
1-Butyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169241
1-Butyl-3-methyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169243
5-Ethyl-1-propylpyridin-2-one
CID 13169254

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-6-propylpyridin-2-one?
The IUPAC name of 1-butyl-5-ethyl-6-propylpyridin-2-one (CID 154257112) is 1-butyl-5-ethyl-6-propylpyridin-2-one.
What is the SMILES notation for 1-butyl-5-ethyl-6-propylpyridin-2-one?
The canonical SMILES for 1-butyl-5-ethyl-6-propylpyridin-2-one is CCCCn1c(CCC)c(CC)ccc1=O.
What is the InChIKey of 1-butyl-5-ethyl-6-propylpyridin-2-one?
The InChIKey is BEKLWEVUHDLAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-11-15-13(8-5-2)12(6-3)9-10-14(15)16/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-butyl-5-ethyl-6-propylpyridin-2-one?
1-butyl-5-ethyl-6-propylpyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-6-propylpyridin-2-one is sourced from PubChem (CID 154257112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).