(4-imino-1,2-dihydroquinolin-3-ylidene)methanone

C10H8N2O — CID 176523016

IUPAC(4-imino-1,2-dihydroquinolin-3-ylidene)methanone
SMILES[H]/N=C1\C(=C=O)CNc2ccccc21
InChIInChI=1S/C10H8N2O/c11-10-7(6-13)5-12-9-4-2-1-3-8(9)10/h1-4,11-12H,5H2/b11-10+
InChIKeySECAKNVLLURLMG-ZHACJKMWSA-N
MW172.19 g/mol
LogP1.24
Rot. Bonds

About (4-imino-1,2-dihydroquinolin-3-ylidene)methanone

(4-imino-1,2-dihydroquinolin-3-ylidene)methanone (PubChem CID 176523016) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is (4-imino-1,2-dihydroquinolin-3-ylidene)methanone.

Molecular Properties

Compound Name(4-imino-1,2-dihydroquinolin-3-ylidene)methanone
PubChem CID176523016
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name(4-imino-1,2-dihydroquinolin-3-ylidene)methanone
SMILES[H]/N=C1\C(=C=O)CNc2ccccc21
InChIInChI=1S/C10H8N2O/c11-10-7(6-13)5-12-9-4-2-1-3-8(9)10/h1-4,11-12H,5H2/b11-10+
InChIKeySECAKNVLLURLMG-ZHACJKMWSA-N
XLogP1.24
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4-imino-1,2-dihydroquinolin-3-ylidene)methanone?
The IUPAC name of (4-imino-1,2-dihydroquinolin-3-ylidene)methanone (CID 176523016) is (4-imino-1,2-dihydroquinolin-3-ylidene)methanone.
What is the SMILES notation for (4-imino-1,2-dihydroquinolin-3-ylidene)methanone?
The canonical SMILES for (4-imino-1,2-dihydroquinolin-3-ylidene)methanone is [H]/N=C1\C(=C=O)CNc2ccccc21.
What is the InChIKey of (4-imino-1,2-dihydroquinolin-3-ylidene)methanone?
The InChIKey is SECAKNVLLURLMG-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H8N2O/c11-10-7(6-13)5-12-9-4-2-1-3-8(9)10/h1-4,11-12H,5H2/b11-10+.
What are the key properties of (4-imino-1,2-dihydroquinolin-3-ylidene)methanone?
(4-imino-1,2-dihydroquinolin-3-ylidene)methanone has a molecular weight of 172.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imino-1,2-dihydroquinolin-3-ylidene)methanone is sourced from PubChem (CID 176523016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).