cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium

C19H26NO2+ — CID 8875827

IUPACcyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium
SMILESCc1cc2oc(=O)cc(C[N+](C)(C)C3CCCC3)c2cc1C
InChIInChI=1S/C19H26NO2/c1-13-9-17-15(11-19(21)22-18(17)10-14(13)2)12-20(3,4)16-7-5-6-8-16/h9-11,16H,5-8,12H2,1-4H3/q+1
InChIKeyHBNXRIPCMSCJSA-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.93
Rot. Bonds3

About cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium

cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium (PubChem CID 8875827) has the molecular formula C19H26NO2+ and a molecular weight of 300.42 g/mol. Its IUPAC name is cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium.

Molecular Properties

Compound Namecyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium
PubChem CID8875827
Molecular FormulaC19H26NO2+
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC Namecyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium
SMILESCc1cc2oc(=O)cc(C[N+](C)(C)C3CCCC3)c2cc1C
InChIInChI=1S/C19H26NO2/c1-13-9-17-15(11-19(21)22-18(17)10-14(13)2)12-20(3,4)16-7-5-6-8-16/h9-11,16H,5-8,12H2,1-4H3/q+1
InChIKeyHBNXRIPCMSCJSA-UHFFFAOYSA-N
XLogP3.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cycloheptyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]azanium
CID 9265963
methyl (2S)-1-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperidine-2-carboxylate
CID 34923696
6,7-dimethyl-4-[[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]chromen-2-one
CID 50983259
4-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-6,7-dimethylchromen-2-one
CID 109397687
4-[(4-acetylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
CID 2101263
4-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-6,7-dimethylchromen-2-one
CID 34941219
(6,7-dimethyl-2-oxochromen-4-yl)methyl-[[(2R)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium
CID 9055500
6,7-dimethyl-4-[[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]chromen-2-one
CID 36900963
6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
CID 9260416
(3S)-1-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-3-carboxamide
CID 9304739
6,7-dimethyl-4-[[4-(2-methylpropoxy)piperidin-1-yl]methyl]chromen-2-one
CID 87022018
(6,7-dimethyl-2-oxochromen-4-yl)methyl-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133852

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium?
The IUPAC name of cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium (CID 8875827) is cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium.
What is the SMILES notation for cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium?
The canonical SMILES for cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium is Cc1cc2oc(=O)cc(C[N+](C)(C)C3CCCC3)c2cc1C.
What is the InChIKey of cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium?
The InChIKey is HBNXRIPCMSCJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO2/c1-13-9-17-15(11-19(21)22-18(17)10-14(13)2)12-20(3,4)16-7-5-6-8-16/h9-11,16H,5-8,12H2,1-4H3/q+1.
What are the key properties of cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium?
cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium has a molecular weight of 300.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-dimethylazanium is sourced from PubChem (CID 8875827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).