4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one

C19H25NO2 — CID 2010659

IUPAC4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
SMILESCCCCN(C)Cc1cc(=O)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C19H25NO2/c1-3-4-9-20(2)13-16-12-19(21)22-18-11-15-8-6-5-7-14(15)10-17(16)18/h10-12H,3-9,13H2,1-2H3
InChIKeyMNWOUVSLUSCYOQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.90
Rot. Bonds5

About 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one

4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one (PubChem CID 2010659) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one.

Molecular Properties

Compound Name4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
PubChem CID2010659
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one
SMILESCCCCN(C)Cc1cc(=O)oc2cc3c(cc12)CCCC3
InChIInChI=1S/C19H25NO2/c1-3-4-9-20(2)13-16-12-19(21)22-18-11-15-8-6-5-7-14(15)10-17(16)18/h10-12H,3-9,13H2,1-2H3
InChIKeyMNWOUVSLUSCYOQ-UHFFFAOYSA-N
XLogP3.90
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
The IUPAC name of 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one (CID 2010659) is 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one.
What is the SMILES notation for 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
The canonical SMILES for 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one is CCCCN(C)Cc1cc(=O)oc2cc3c(cc12)CCCC3.
What is the InChIKey of 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
The InChIKey is MNWOUVSLUSCYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-4-9-20(2)13-16-12-19(21)22-18-11-15-8-6-5-7-14(15)10-17(16)18/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one?
4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(methyl)amino]methyl]-6,7,8,9-tetrahydrobenzo[g]chromen-2-one is sourced from PubChem (CID 2010659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).