(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one

C10H13NO — CID 164671295

IUPAC(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one
SMILESC/C=C1\C=CC2NCCC(=O)C12
InChIInChI=1S/C10H13NO/c1-2-7-3-4-8-10(7)9(12)5-6-11-8/h2-4,8,10-11H,5-6H2,1H3/b7-2+
InChIKeyWIPYKLGDSQYASQ-FARCUNLSSA-N
MW163.22 g/mol
LogP1.05
Rot. Bonds

About (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one

(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one (PubChem CID 164671295) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one
PubChem CID164671295
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one
SMILESC/C=C1\C=CC2NCCC(=O)C12
InChIInChI=1S/C10H13NO/c1-2-7-3-4-8-10(7)9(12)5-6-11-8/h2-4,8,10-11H,5-6H2,1H3/b7-2+
InChIKeyWIPYKLGDSQYASQ-FARCUNLSSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyltetrahydro-4-quinolone
CID 129795595
2,3,4a,8a-tetrahydro-1H-quinolin-4-one
CID 57088589
5-(aminomethyl)-2-piperidin-3-yl-3a,5-dihydro-3H-isoindol-4-one
CID 67369722
2-piperidin-4-yl-3a,5-dihydro-3H-isoindol-4-one
CID 67754228
1,2,3,4,4a,6-Hexahydrocyclopenta[c]pyridin-5-one
CID 69502057
7-chloro-2,3,4a,8a-tetrahydro-1H-quinolin-4-one
CID 70117710
1,2,3,4,4a,5a-Hexahydroindeno[1,2-c]pyridin-5-one
CID 70252210
10-Methyl-11-azatricyclo[6.4.1.04,13]trideca-1(13),2,4-trien-9-one
CID 70374306
3-(dimethylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591226
3-(methylamino)-1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)propan-1-one
CID 70591500
1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-(propylamino)propan-1-one
CID 70591820
1-(6-methyl-2,3,6,7-tetrahydro-1H-indol-7-yl)-3-piperidin-1-ylpropan-1-one
CID 70593268

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one?
The IUPAC name of (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one (CID 164671295) is (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one.
What is the SMILES notation for (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one?
The canonical SMILES for (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one is C/C=C1\C=CC2NCCC(=O)C12.
What is the InChIKey of (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one?
The InChIKey is WIPYKLGDSQYASQ-FARCUNLSSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-7-3-4-8-10(7)9(12)5-6-11-8/h2-4,8,10-11H,5-6H2,1H3/b7-2+.
What are the key properties of (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one?
(5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-2,3,4a,7a-tetrahydro-1H-cyclopenta[b]pyridin-4-one is sourced from PubChem (CID 164671295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).