(1,3-dioxoinden-2-ylidene)methylideneazanide

C10H4NO2- — CID 4315728

IUPAC(1,3-dioxoinden-2-ylidene)methylideneazanide
SMILES[N-]=C=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H4NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4H/q-1
InChIKeyWARVBPNTUVSBRJ-UHFFFAOYSA-N
MW170.15 g/mol
LogP1.23
Rot. Bonds

About (1,3-dioxoinden-2-ylidene)methylideneazanide

(1,3-dioxoinden-2-ylidene)methylideneazanide (PubChem CID 4315728) has the molecular formula C10H4NO2- and a molecular weight of 170.15 g/mol. Its IUPAC name is (1,3-dioxoinden-2-ylidene)methylideneazanide.

Molecular Properties

Compound Name(1,3-dioxoinden-2-ylidene)methylideneazanide
PubChem CID4315728
Molecular FormulaC10H4NO2-
Molecular Weight170.15 g/mol
Exact Mass170.02
IUPAC Name(1,3-dioxoinden-2-ylidene)methylideneazanide
SMILES[N-]=C=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H4NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4H/q-1
InChIKeyWARVBPNTUVSBRJ-UHFFFAOYSA-N
XLogP1.23
TPSA56.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoinden-2-ylidene)methylideneazanide?
The IUPAC name of (1,3-dioxoinden-2-ylidene)methylideneazanide (CID 4315728) is (1,3-dioxoinden-2-ylidene)methylideneazanide.
What is the SMILES notation for (1,3-dioxoinden-2-ylidene)methylideneazanide?
The canonical SMILES for (1,3-dioxoinden-2-ylidene)methylideneazanide is [N-]=C=C1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoinden-2-ylidene)methylideneazanide?
The InChIKey is WARVBPNTUVSBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4H/q-1.
What are the key properties of (1,3-dioxoinden-2-ylidene)methylideneazanide?
(1,3-dioxoinden-2-ylidene)methylideneazanide has a molecular weight of 170.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoinden-2-ylidene)methylideneazanide is sourced from PubChem (CID 4315728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).