(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one

C18H23NO — CID 143903543

IUPAC(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one
SMILESC/C=c1/c(=O)c2c(n(C)/c1=C/CC)C=CC(C)(C)C=C2
InChIInChI=1S/C18H23NO/c1-6-8-15-13(7-2)17(20)14-9-11-18(3,4)12-10-16(14)19(15)5/h7-12H,6H2,1-5H3/b13-7+,15-8+
InChIKeyRTSHVMKDQZXMGY-KUADPSCUSA-N
MW269.39 g/mol
LogP2.44
Rot. Bonds1

About (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one

(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one (PubChem CID 143903543) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one.

Molecular Properties

Compound Name(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one
PubChem CID143903543
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one
SMILESC/C=c1/c(=O)c2c(n(C)/c1=C/CC)C=CC(C)(C)C=C2
InChIInChI=1S/C18H23NO/c1-6-8-15-13(7-2)17(20)14-9-11-18(3,4)12-10-16(14)19(15)5/h7-12H,6H2,1-5H3/b13-7+,15-8+
InChIKeyRTSHVMKDQZXMGY-KUADPSCUSA-N
XLogP2.44
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)-2-ethenyl-4-ethylidenecyclobut-2-en-1-one
CID 59870150
1-methyl-2-[(E)-oct-1-enyl]-6,7-dihydroquinolin-4-one
CID 142606835
6-[(1Z)-buta-1,3-dienyl]-1,2,5-trimethyl-2,3-dihydropyridin-4-one;ethane
CID 142863538
1-methyl-2-[(Z)-tridec-7-enyl]-6,7-dihydroquinolin-4-one
CID 155108095
ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
CID 169152773
CID 169152841
CID 169152841
ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
CID 169153001
(8E)-6-methyl-1-[(Z)-prop-1-enyl]-8-prop-2-enylidene-2,3-dihydroindolizin-7-one
CID 169153039
ethane;(2E,3E)-2-ethylidene-5-methyl-3-prop-2-enylidene-1-azabicyclo[4.2.0]oct-5-en-4-one
CID 169153210
CID 169153216
CID 169153216
ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
CID 169153429
1-[1-(4,4-Dimethylpentyl)-6-methylidene-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 169855956

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one?
The IUPAC name of (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one (CID 143903543) is (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one.
What is the SMILES notation for (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one?
The canonical SMILES for (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one is C/C=c1/c(=O)c2c(n(C)/c1=C/CC)C=CC(C)(C)C=C2.
What is the InChIKey of (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one?
The InChIKey is RTSHVMKDQZXMGY-KUADPSCUSA-N. The full InChI is InChI=1S/C18H23NO/c1-6-8-15-13(7-2)17(20)14-9-11-18(3,4)12-10-16(14)19(15)5/h7-12H,6H2,1-5H3/b13-7+,15-8+.
What are the key properties of (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one?
(2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one has a molecular weight of 269.39 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-ethylidene-1,7,7-trimethyl-2-propylidenecyclohepta[b]pyridin-4-one is sourced from PubChem (CID 143903543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).