4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one

C18H23NO2 — CID 16576387

IUPAC4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
SMILESCc1ccc2c(CN(C)C3CCCC3)cc(=O)oc2c1C
InChIInChI=1S/C18H23NO2/c1-12-8-9-16-14(10-17(20)21-18(16)13(12)2)11-19(3)15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3
InChIKeyVPDKQGDUSCPDEF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.78
Rot. Bonds3

About 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one

4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one (PubChem CID 16576387) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one.

Molecular Properties

Compound Name4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
PubChem CID16576387
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
SMILESCc1ccc2c(CN(C)C3CCCC3)cc(=O)oc2c1C
InChIInChI=1S/C18H23NO2/c1-12-8-9-16-14(10-17(20)21-18(16)13(12)2)11-19(3)15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3
InChIKeyVPDKQGDUSCPDEF-UHFFFAOYSA-N
XLogP3.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592
7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 3924084
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
4-[[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]methyl]-7,8-dimethylchromen-2-one
CID 11940283
4-[[cyclobutyl(methyl)amino]methyl]-7-hydroxychromen-2-one
CID 139011442
4-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-7,8-dimethylchromen-2-one
CID 8551444
4-[[bis(furan-2-ylmethyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 8841538
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906752
N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide
CID 110275082
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60508730
(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260409
4-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-7,8-dimethylchromen-2-one
CID 8891439

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one?
The IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one (CID 16576387) is 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one.
What is the SMILES notation for 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one?
The canonical SMILES for 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one is Cc1ccc2c(CN(C)C3CCCC3)cc(=O)oc2c1C.
What is the InChIKey of 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one?
The InChIKey is VPDKQGDUSCPDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-9-16-14(10-17(20)21-18(16)13(12)2)11-19(3)15-6-4-5-7-15/h8-10,15H,4-7,11H2,1-3H3.
What are the key properties of 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one?
4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one is sourced from PubChem (CID 16576387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).