7-amino-4-methylchromen-2-one;formyl chloride

C11H10ClNO3 — CID 175535632

IUPAC7-amino-4-methylchromen-2-one;formyl chloride
SMILESCc1cc(=O)oc2cc(N)ccc12.O=CCl
InChIInChI=1S/C10H9NO2.CHClO/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;2-1-3/h2-5H,11H2,1H3;1H
InChIKeyLHHPGOOBQYDQDV-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.10
Rot. Bonds

About 7-amino-4-methylchromen-2-one;formyl chloride

7-amino-4-methylchromen-2-one;formyl chloride (PubChem CID 175535632) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 7-amino-4-methylchromen-2-one;formyl chloride.

Molecular Properties

Compound Name7-amino-4-methylchromen-2-one;formyl chloride
PubChem CID175535632
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name7-amino-4-methylchromen-2-one;formyl chloride
SMILESCc1cc(=O)oc2cc(N)ccc12.O=CCl
InChIInChI=1S/C10H9NO2.CHClO/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;2-1-3/h2-5H,11H2,1H3;1H
InChIKeyLHHPGOOBQYDQDV-UHFFFAOYSA-N
XLogP2.10
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-amino-4-methylchromen-2-one;formyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
CID 87630650
7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid
CID 87290425
7-amino-4-methylchromen-2-one;bis(2-amino-4-methylpentanoic acid)
CID 174593861
CID 89064299
CID 89064299
7-amino-4-propan-2-ylchromen-2-one
CID 134375353
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-(3-amino-5-fluorophenoxy)-4-methylchromen-2-one
CID 80752233
4-methyl-7-nitrosochromen-2-one
CID 122373464
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
3,6-diaminoxanthen-9-one
CID 12508641

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methylchromen-2-one;formyl chloride?
The IUPAC name of 7-amino-4-methylchromen-2-one;formyl chloride (CID 175535632) is 7-amino-4-methylchromen-2-one;formyl chloride.
What is the SMILES notation for 7-amino-4-methylchromen-2-one;formyl chloride?
The canonical SMILES for 7-amino-4-methylchromen-2-one;formyl chloride is Cc1cc(=O)oc2cc(N)ccc12.O=CCl.
What is the InChIKey of 7-amino-4-methylchromen-2-one;formyl chloride?
The InChIKey is LHHPGOOBQYDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.CHClO/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;2-1-3/h2-5H,11H2,1H3;1H.
What are the key properties of 7-amino-4-methylchromen-2-one;formyl chloride?
7-amino-4-methylchromen-2-one;formyl chloride has a molecular weight of 239.66 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylchromen-2-one;formyl chloride is sourced from PubChem (CID 175535632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).