(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one

C13H10N2O — CID 142017800

IUPAC(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one
SMILESC/C=C1\C(=O)Nc2ccc3ncccc3c21
InChIInChI=1S/C13H10N2O/c1-2-8-12-9-4-3-7-14-10(9)5-6-11(12)15-13(8)16/h2-7H,1H3,(H,15,16)/b8-2-
InChIKeyFYZOFZSLHCYDDC-WAPJZHGLSA-N
MW210.24 g/mol
LogP2.59
Rot. Bonds

About (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one

(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one (PubChem CID 142017800) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one
PubChem CID142017800
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one
SMILESC/C=C1\C(=O)Nc2ccc3ncccc3c21
InChIInChI=1S/C13H10N2O/c1-2-8-12-9-4-3-7-14-10(9)5-6-11(12)15-13(8)16/h2-7H,1H3,(H,15,16)/b8-2-
InChIKeyFYZOFZSLHCYDDC-WAPJZHGLSA-N
XLogP2.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one (CID 142017800) is (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one is C/C=C1\C(=O)Nc2ccc3ncccc3c21.
What is the InChIKey of (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one?
The InChIKey is FYZOFZSLHCYDDC-WAPJZHGLSA-N. The full InChI is InChI=1S/C13H10N2O/c1-2-8-12-9-4-3-7-14-10(9)5-6-11(12)15-13(8)16/h2-7H,1H3,(H,15,16)/b8-2-.
What are the key properties of (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one?
(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one has a molecular weight of 210.24 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 142017800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).