3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene

C16H16N2O — CID 143037790

IUPAC3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
SMILESC=C.Cn1ccc2cc(C3C=CC=C3)nc(=O)c-2c1
InChIInChI=1S/C14H12N2O.C2H4/c1-16-7-6-11-8-13(10-4-2-3-5-10)15-14(17)12(11)9-16;1-2/h2-10H,1H3;1-2H2
InChIKeySIZUREUSIXTFLY-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.90
Rot. Bonds1

About 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene

3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene (PubChem CID 143037790) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
PubChem CID143037790
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
SMILESC=C.Cn1ccc2cc(C3C=CC=C3)nc(=O)c-2c1
InChIInChI=1S/C14H12N2O.C2H4/c1-16-7-6-11-8-13(10-4-2-3-5-10)15-14(17)12(11)9-16;1-2/h2-10H,1H3;1-2H2
InChIKeySIZUREUSIXTFLY-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Propan-2-yl-1,5-benzodiazepin-2-one
CID 21472108
3-Cyclopenta-1,3-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene
CID 143037792
3-Cyclohexa-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one
CID 143037796
3,7-Dimethyl-2,7-naphthyridin-1(7H)-one
CID 71367861
3,7-Dimethyl-2,7-naphthyridin-1-one;hydrochloride
CID 121215745
3-Cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one
CID 143037791
3-Cyclopenta-1,3-dien-1-yl-7-methyl-2,7-naphthyridin-1-one
CID 143037793

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene?
The IUPAC name of 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene (CID 143037790) is 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene is C=C.Cn1ccc2cc(C3C=CC=C3)nc(=O)c-2c1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene?
The InChIKey is SIZUREUSIXTFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O.C2H4/c1-16-7-6-11-8-13(10-4-2-3-5-10)15-14(17)12(11)9-16;1-2/h2-10H,1H3;1-2H2.
What are the key properties of 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene?
3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene has a molecular weight of 252.32 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-yl-7-methyl-2,7-naphthyridin-1-one;ethene is sourced from PubChem (CID 143037790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).