(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one

C14H11N3O — CID 142105962

IUPAC(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one
SMILESC/N=c1\c(=O)c2cc3ccccc3cc2\c1=N\N
InChIInChI=1S/C14H11N3O/c1-16-13-12(17-15)10-6-8-4-2-3-5-9(8)7-11(10)14(13)18/h2-7H,15H2,1H3/b16-13-,17-12-
InChIKeyGXFZZXFRRYIJMX-BHZQTOLTSA-N
MW237.26 g/mol
LogP0.53
Rot. Bonds

About (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one

(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one (PubChem CID 142105962) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one
PubChem CID142105962
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one
SMILESC/N=c1\c(=O)c2cc3ccccc3cc2\c1=N\N
InChIInChI=1S/C14H11N3O/c1-16-13-12(17-15)10-6-8-4-2-3-5-9(8)7-11(10)14(13)18/h2-7H,15H2,1H3/b16-13-,17-12-
InChIKeyGXFZZXFRRYIJMX-BHZQTOLTSA-N
XLogP0.53
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(propan-2-ylimino)cyclopenta[b]naphthalen-3-one
CID 23558962
2-hydroxyiminocyclopenta[b]naphthalene-1,3-dione
CID 12583820
cyclopenta[b]naphthalene-1,2,3-trione
CID 581122
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
CID 173173087
CID 173173087
2-oxo-2-pentacen-6-ylacetaldehyde
CID 87834317
benzo[g][2,3]benzodioxine-1,4-dione
CID 164673026
CID 164759642
CID 164759642
6,13-dimethylpentacene;ethane
CID 123724624
anthracene-1,2,3,4-tetracarbaldehyde
CID 87124414
5-oxatricyclo[7.6.0.03,7]pentadeca-1,3(7),8,10,12,14-hexaene-4,6-dione
CID 71358715
2-oxo-2-(1,2,3,4-tetramethylpentacen-6-yl)acetaldehyde
CID 174771570

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one?
The IUPAC name of (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one (CID 142105962) is (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one.
What is the SMILES notation for (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one?
The canonical SMILES for (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one is C/N=c1\c(=O)c2cc3ccccc3cc2\c1=N\N.
What is the InChIKey of (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one?
The InChIKey is GXFZZXFRRYIJMX-BHZQTOLTSA-N. The full InChI is InChI=1S/C14H11N3O/c1-16-13-12(17-15)10-6-8-4-2-3-5-9(8)7-11(10)14(13)18/h2-7H,15H2,1H3/b16-13-,17-12-.
What are the key properties of (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one?
(1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one has a molecular weight of 237.26 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydrazinylidene-2-methyliminocyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 142105962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).