2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium

C20H24NO3+ — CID 9264240

IUPAC2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium
SMILESCc1cc2oc(=O)cc(C[NH2+]CCc3ccco3)c2cc1C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)17-11-18-15(10-20(22)24-19(18)9-14(17)3)12-21-7-6-16-5-4-8-23-16/h4-5,8-11,13,21H,6-7,12H2,1-3H3/p+1
InChIKeyUFAPOPXAZSGFMH-UHFFFAOYSA-O
MW326.42 g/mol
LogP3.12
Rot. Bonds6

About 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium

2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium (PubChem CID 9264240) has the molecular formula C20H24NO3+ and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium.

Molecular Properties

Compound Name2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium
PubChem CID9264240
Molecular FormulaC20H24NO3+
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium
SMILESCc1cc2oc(=O)cc(C[NH2+]CCc3ccco3)c2cc1C(C)C
InChIInChI=1S/C20H23NO3/c1-13(2)17-11-18-15(10-20(22)24-19(18)9-14(17)3)12-21-7-6-16-5-4-8-23-16/h4-5,8-11,13,21H,6-7,12H2,1-3H3/p+1
InChIKeyUFAPOPXAZSGFMH-UHFFFAOYSA-O
XLogP3.12
TPSA59.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-(2-phenylethyl)azanium
CID 7590079
(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl-(2-phenoxyethyl)azanium
CID 9256141
4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 8919865
4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 46693934
3-[4-(furan-2-ylmethyl)-5-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]propanamide
CID 46510869
4-[(dibenzylamino)methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 2465808
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-6,7-dimethylchromen-2-one
CID 8920388
7-methyl-6-propan-2-yl-4-[(thiophen-2-ylmethylamino)methyl]chromen-2-one
CID 9265816
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 2656756
4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 8864736
4-[[(2S)-2,3-dihydroxypropyl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 99814044
2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methoxy]benzonitrile
CID 2631092

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium?
The IUPAC name of 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium (CID 9264240) is 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium.
What is the SMILES notation for 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium?
The canonical SMILES for 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium is Cc1cc2oc(=O)cc(C[NH2+]CCc3ccco3)c2cc1C(C)C.
What is the InChIKey of 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium?
The InChIKey is UFAPOPXAZSGFMH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23NO3/c1-13(2)17-11-18-15(10-20(22)24-19(18)9-14(17)3)12-21-7-6-16-5-4-8-23-16/h4-5,8-11,13,21H,6-7,12H2,1-3H3/p+1.
What are the key properties of 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium?
2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium has a molecular weight of 326.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium is sourced from PubChem (CID 9264240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).