(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one

C23H23NO4 — CID 110276022

IUPAC(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
SMILESCc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(CC1CCCO1)CO2
InChIInChI=1S/C23H23NO4/c1-15-22-17(12-24(14-27-22)13-18-8-5-9-26-18)11-19-21(25)20(28-23(15)19)10-16-6-3-2-4-7-16/h2-4,6-7,10-11,18H,5,8-9,12-14H2,1H3/b20-10-
InChIKeyVEUHRZSFRNCULW-JMIUGGIZSA-N
MW377.44 g/mol
LogP3.94
Rot. Bonds3

About (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one

(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (PubChem CID 110276022) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one.

Molecular Properties

Compound Name(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
PubChem CID110276022
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
SMILESCc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(CC1CCCO1)CO2
InChIInChI=1S/C23H23NO4/c1-15-22-17(12-24(14-27-22)13-18-8-5-9-26-18)11-19-21(25)20(28-23(15)19)10-16-6-3-2-4-7-16/h2-4,6-7,10-11,18H,5,8-9,12-14H2,1H3/b20-10-
InChIKeyVEUHRZSFRNCULW-JMIUGGIZSA-N
XLogP3.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(7Z)-9-methyl-7-[(5-methylfuran-2-yl)methylidene]-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 110276074
(7Z)-7-benzylidene-9-methyl-3-(2-morpholin-4-ylethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 39734942
10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 7679113
(2Z)-2-[(3-fluorophenyl)methylidene]-4-methyl-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276195
(7Z)-7-[(4-methoxyphenyl)methylidene]-9-methyl-3-(2-morpholin-4-ylethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 39734914
(7Z)-7-[(3-fluorophenyl)methylidene]-9-methyl-3-(3-morpholin-4-ylpropyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 39734931
(2Z)-2-[(2-chlorophenyl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276290
(7Z)-3-[(2-chlorophenyl)methyl]-7-[[4-(diethylamino)phenyl]methylidene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 95025638
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276401
(7Z)-7-[(4-methoxyphenyl)methylidene]-9-methyl-3-(pyridin-3-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 39733942
(7Z)-7-[(4-bromophenyl)methylidene]-3-[2-(2,4-dichlorophenyl)ethyl]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 95399603
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-8-(oxolan-2-ylmethyl)-7,9-dihydrofuro[2,3-f][1,3]benzoxazin-3-one
CID 110276341

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one?
The IUPAC name of (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one (CID 110276022) is (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one.
What is the SMILES notation for (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one?
The canonical SMILES for (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one is Cc1c2c(cc3c1O/C(=C\c1ccccc1)C3=O)CN(CC1CCCO1)CO2.
What is the InChIKey of (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one?
The InChIKey is VEUHRZSFRNCULW-JMIUGGIZSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-22-17(12-24(14-27-22)13-18-8-5-9-26-18)11-19-21(25)20(28-23(15)19)10-16-6-3-2-4-7-16/h2-4,6-7,10-11,18H,5,8-9,12-14H2,1H3/b20-10-.
What are the key properties of (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one?
(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one has a molecular weight of 377.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one is sourced from PubChem (CID 110276022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).