6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one

C17H17ClN2O4 — CID 171912685

IUPAC6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOC2(CCNC2)C1
InChIInChI=1S/C17H17ClN2O4/c18-12-1-2-14-11(7-12)8-13(16(22)24-14)15(21)20-5-6-23-17(10-20)3-4-19-9-17/h1-2,7-8,19H,3-6,9-10H2
InChIKeyOWVGWJGGSOWDAK-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.65
Rot. Bonds1

About 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one

6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one (PubChem CID 171912685) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one
PubChem CID171912685
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one
SMILESO=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOC2(CCNC2)C1
InChIInChI=1S/C17H17ClN2O4/c18-12-1-2-14-11(7-12)8-13(16(22)24-14)15(21)20-5-6-23-17(10-20)3-4-19-9-17/h1-2,7-8,19H,3-6,9-10H2
InChIKeyOWVGWJGGSOWDAK-UHFFFAOYSA-N
XLogP1.65
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217
(4-chloro-2-hydroxyphenyl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 90648268
(2-chloro-4-indazol-1-ylphenyl)-(6-oxa-2,9-diazaspiro[4.5]decan-9-yl)methanone
CID 167968837
1-(6-chloro-2-oxochromene-3-carbonyl)piperidine-3-carboxamide
CID 171387841
6-chloro-3-[3-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 171911178
(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 117044861
6-chloro-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]-2-oxochromene-3-carboxamide
CID 171907033
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 95721471
1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl-(2-methyl-1-benzofuran-7-yl)methanone
CID 56896829
6-chloro-3-[1-(hydroxyamino)ethenyl]chromen-2-one
CID 2324868
(2-chloro-5-pyrazol-1-ylphenyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95728254

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one?
The IUPAC name of 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one (CID 171912685) is 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one.
What is the SMILES notation for 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one?
The canonical SMILES for 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one is O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOC2(CCNC2)C1.
What is the InChIKey of 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one?
The InChIKey is OWVGWJGGSOWDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c18-12-1-2-14-11(7-12)8-13(16(22)24-14)15(21)20-5-6-23-17(10-20)3-4-19-9-17/h1-2,7-8,19H,3-6,9-10H2.
What are the key properties of 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one?
6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one has a molecular weight of 348.79 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(6-oxa-2,9-diazaspiro[4.5]decane-9-carbonyl)chromen-2-one is sourced from PubChem (CID 171912685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).