3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one

C20H24N2O4 — CID 167975912

IUPAC3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one
SMILESCN1CCN(C(=O)c2cc3ccccc3oc2=O)C2(CCOCC2)CC1
InChIInChI=1S/C20H24N2O4/c1-21-9-6-20(7-12-25-13-8-20)22(11-10-21)18(23)16-14-15-4-2-3-5-17(15)26-19(16)24/h2-5,14H,6-13H2,1H3
InChIKeyLSJXLGAMQXNQII-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.12
Rot. Bonds1

About 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one

3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one (PubChem CID 167975912) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one
PubChem CID167975912
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one
SMILESCN1CCN(C(=O)c2cc3ccccc3oc2=O)C2(CCOCC2)CC1
InChIInChI=1S/C20H24N2O4/c1-21-9-6-20(7-12-25-13-8-20)22(11-10-21)18(23)16-14-15-4-2-3-5-17(15)26-19(16)24/h2-5,14H,6-13H2,1H3
InChIKeyLSJXLGAMQXNQII-UHFFFAOYSA-N
XLogP2.12
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one?
The IUPAC name of 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one (CID 167975912) is 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one?
The canonical SMILES for 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one is CN1CCN(C(=O)c2cc3ccccc3oc2=O)C2(CCOCC2)CC1.
What is the InChIKey of 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one?
The InChIKey is LSJXLGAMQXNQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-21-9-6-20(7-12-25-13-8-20)22(11-10-21)18(23)16-14-15-4-2-3-5-17(15)26-19(16)24/h2-5,14H,6-13H2,1H3.
What are the key properties of 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one?
3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one has a molecular weight of 356.42 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one is sourced from PubChem (CID 167975912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).