4-methyl-7-(2-methylpropylideneamino)chromen-2-one

C14H15NO2 — CID 87174323

IUPAC4-methyl-7-(2-methylpropylideneamino)chromen-2-one
SMILESCc1cc(=O)oc2cc(/N=C/C(C)C)ccc12
InChIInChI=1S/C14H15NO2/c1-9(2)8-15-11-4-5-12-10(3)6-14(16)17-13(12)7-11/h4-9H,1-3H3/b15-8+
InChIKeySIJVYQDXCVPNSP-OVCLIPMQSA-N
MW229.28 g/mol
LogP3.46
Rot. Bonds2

About 4-methyl-7-(2-methylpropylideneamino)chromen-2-one

4-methyl-7-(2-methylpropylideneamino)chromen-2-one (PubChem CID 87174323) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-methyl-7-(2-methylpropylideneamino)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-methylpropylideneamino)chromen-2-one
PubChem CID87174323
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-methyl-7-(2-methylpropylideneamino)chromen-2-one
SMILESCc1cc(=O)oc2cc(/N=C/C(C)C)ccc12
InChIInChI=1S/C14H15NO2/c1-9(2)8-15-11-4-5-12-10(3)6-14(16)17-13(12)7-11/h4-9H,1-3H3/b15-8+
InChIKeySIJVYQDXCVPNSP-OVCLIPMQSA-N
XLogP3.46
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7-nitrosochromen-2-one
CID 122373464
CID 89064299
CID 89064299
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-ethyl-4-methylchromen-2-one
CID 5160585
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-amino-4-methylchromen-2-one;formyl chloride
CID 175535632
7-isocyano-4-methylchromen-2-one
CID 12971176
4-methyl-7-methylsulfinylchromen-2-one
CID 162642075
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
CID 7967887
7-but-3-yn-2-yloxy-4-methylchromen-2-one
CID 100933119

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(2-methylpropylideneamino)chromen-2-one?
The IUPAC name of 4-methyl-7-(2-methylpropylideneamino)chromen-2-one (CID 87174323) is 4-methyl-7-(2-methylpropylideneamino)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-methylpropylideneamino)chromen-2-one?
The canonical SMILES for 4-methyl-7-(2-methylpropylideneamino)chromen-2-one is Cc1cc(=O)oc2cc(/N=C/C(C)C)ccc12.
What is the InChIKey of 4-methyl-7-(2-methylpropylideneamino)chromen-2-one?
The InChIKey is SIJVYQDXCVPNSP-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)8-15-11-4-5-12-10(3)6-14(16)17-13(12)7-11/h4-9H,1-3H3/b15-8+.
What are the key properties of 4-methyl-7-(2-methylpropylideneamino)chromen-2-one?
4-methyl-7-(2-methylpropylideneamino)chromen-2-one has a molecular weight of 229.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(2-methylpropylideneamino)chromen-2-one is sourced from PubChem (CID 87174323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).