7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one

C19H25NO3 — CID 11324513

IUPAC7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one
SMILESC=CCN(C)CCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H25NO3/c1-3-12-20(2)13-6-4-5-7-14-22-17-10-8-16-9-11-19(21)23-18(16)15-17/h3,8-11,15H,1,4-7,12-14H2,2H3
InChIKeyUVKLGKQUNXUIHC-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.85
Rot. Bonds10

About 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one

7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one (PubChem CID 11324513) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one.

Molecular Properties

Compound Name7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one
PubChem CID11324513
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one
SMILESC=CCN(C)CCCCCCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H25NO3/c1-3-12-20(2)13-6-4-5-7-14-22-17-10-8-16-9-11-19(21)23-18(16)15-17/h3,8-11,15H,1,4-7,12-14H2,2H3
InChIKeyUVKLGKQUNXUIHC-UHFFFAOYSA-N
XLogP3.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Chromonar Hydrochloride
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Chromonar
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7-Methoxy-4-methylcoumarin
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Umbelliprenin
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7-Ethoxy-4-methylcoumarin
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7-Prenyloxycoumarin
CID 320362

Frequently Asked Questions

What is the IUPAC name of 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one?
The IUPAC name of 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one (CID 11324513) is 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one.
What is the SMILES notation for 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one?
The canonical SMILES for 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one is C=CCN(C)CCCCCCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one?
The InChIKey is UVKLGKQUNXUIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-12-20(2)13-6-4-5-7-14-22-17-10-8-16-9-11-19(21)23-18(16)15-17/h3,8-11,15H,1,4-7,12-14H2,2H3.
What are the key properties of 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one?
7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one has a molecular weight of 315.41 g/mol, XLogP of 3.85, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[methyl(prop-2-enyl)amino]hexoxy]chromen-2-one is sourced from PubChem (CID 11324513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).