7-(3-methylbut-2-enylamino)chromen-2-one

C14H15NO2 — CID 11974506

IUPAC7-(3-methylbut-2-enylamino)chromen-2-one
SMILESCC(C)=CCNc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C14H15NO2/c1-10(2)7-8-15-12-5-3-11-4-6-14(16)17-13(11)9-12/h3-7,9,15H,8H2,1-2H3
InChIKeyLEHXIJNBTDLAKH-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.17
Rot. Bonds3

About 7-(3-methylbut-2-enylamino)chromen-2-one

7-(3-methylbut-2-enylamino)chromen-2-one (PubChem CID 11974506) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-(3-methylbut-2-enylamino)chromen-2-one.

Molecular Properties

Compound Name7-(3-methylbut-2-enylamino)chromen-2-one
PubChem CID11974506
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name7-(3-methylbut-2-enylamino)chromen-2-one
SMILESCC(C)=CCNc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C14H15NO2/c1-10(2)7-8-15-12-5-3-11-4-6-14(16)17-13(11)9-12/h3-7,9,15H,8H2,1-2H3
InChIKeyLEHXIJNBTDLAKH-UHFFFAOYSA-N
XLogP3.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-6-(3-methylbut-2-enyl)chromen-2-one
CID 5316525
7-methyl-6-(3-methylbut-2-enyl)chromen-2-one
CID 134989730
3,4-dimethoxy-N-(3-methylbut-2-enyl)aniline
CID 103604390
1-[2-amino-4-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182629
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
7-[[(2S,4R)-1,3,4,5,6-pentahydroxyhexan-2-yl]amino]chromen-2-one
CID 118450168
acetic acid;7-hydroxychromen-2-one
CID 88810969
3-(3-methylbut-2-enylamino)phenol
CID 130657504
7-[(E)-(methylhydrazinylidene)methyl]chromen-2-one
CID 10397938
7-[[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]chromen-2-one
CID 129087874
2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enoic acid
CID 162948387

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbut-2-enylamino)chromen-2-one?
The IUPAC name of 7-(3-methylbut-2-enylamino)chromen-2-one (CID 11974506) is 7-(3-methylbut-2-enylamino)chromen-2-one.
What is the SMILES notation for 7-(3-methylbut-2-enylamino)chromen-2-one?
The canonical SMILES for 7-(3-methylbut-2-enylamino)chromen-2-one is CC(C)=CCNc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(3-methylbut-2-enylamino)chromen-2-one?
The InChIKey is LEHXIJNBTDLAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(2)7-8-15-12-5-3-11-4-6-14(16)17-13(11)9-12/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 7-(3-methylbut-2-enylamino)chromen-2-one?
7-(3-methylbut-2-enylamino)chromen-2-one has a molecular weight of 229.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbut-2-enylamino)chromen-2-one is sourced from PubChem (CID 11974506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).