1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one

C19H20N2O — CID 23558962

IUPAC1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one
SMILESCC(C)/N=c1\c(=O)c2cc3ccccc3cc2\c1=N\C(C)C
InChIInChI=1S/C19H20N2O/c1-11(2)20-17-15-9-13-7-5-6-8-14(13)10-16(15)19(22)18(17)21-12(3)4/h5-12H,1-4H3/b20-17-,21-18-
InChIKeyWAHFARDGKLGVIL-HIOQQWDOSA-N
MW292.38 g/mol
LogP2.85
Rot. Bonds2

About 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one

1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one (PubChem CID 23558962) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one
PubChem CID23558962
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one
SMILESCC(C)/N=c1\c(=O)c2cc3ccccc3cc2\c1=N\C(C)C
InChIInChI=1S/C19H20N2O/c1-11(2)20-17-15-9-13-7-5-6-8-14(13)10-16(15)19(22)18(17)21-12(3)4/h5-12H,1-4H3/b20-17-,21-18-
InChIKeyWAHFARDGKLGVIL-HIOQQWDOSA-N
XLogP2.85
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione
CID 12583820
(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one
CID 142105962
cyclopenta[b]naphthalene-1,2,3-trione
CID 581122
anthracene;2-methylpropane
CID 142471530
heptacyclo[12.10.0.03,12.05,10.016,23.017,19.020,22]tetracosa-1,3,5,7,9,11,13,15,17(19),20(22),23-undecaene-18,21-dione
CID 140516739
benzo[g][2,3]benzodioxine-1,4-dione
CID 164673026
6,13-dimethylpentacene;ethane
CID 123724624
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
ethane;N-propan-2-ylfluoren-9-imine
CID 157220369
6-propan-2-ylbenzo[a]anthracene
CID 90474215
6,17,25,36-tetrakis[2-tri(propan-2-yl)silylethynyl]-4,19,23,38-tetrazanonacyclo[20.16.0.03,20.05,18.07,16.09,14.024,37.026,35.028,33]octatriaconta-1(22),3,5,7,9,11,13,15,17,19,24,26,28,30,32,34,36-heptadecaene-2,21-dione
CID 122384467
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one?
The IUPAC name of 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one (CID 23558962) is 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one.
What is the SMILES notation for 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one?
The canonical SMILES for 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one is CC(C)/N=c1\c(=O)c2cc3ccccc3cc2\c1=N\C(C)C.
What is the InChIKey of 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one?
The InChIKey is WAHFARDGKLGVIL-HIOQQWDOSA-N. The full InChI is InChI=1S/C19H20N2O/c1-11(2)20-17-15-9-13-7-5-6-8-14(13)10-16(15)19(22)18(17)21-12(3)4/h5-12H,1-4H3/b20-17-,21-18-.
What are the key properties of 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one?
1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one has a molecular weight of 292.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 23558962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).