9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H22N2O4 — CID 97471407

IUPAC9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(C(=O)c3ccoc3C)CC2)OCC1=O
InChIInChI=1S/C17H22N2O4/c1-3-7-19-12-17(23-11-15(19)20)5-8-18(9-6-17)16(21)14-4-10-22-13(14)2/h3-4,10H,1,5-9,11-12H2,2H3
InChIKeyQNGZXDPACZEZNI-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.61
Rot. Bonds3

About 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471407) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471407
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(C(=O)c3ccoc3C)CC2)OCC1=O
InChIInChI=1S/C17H22N2O4/c1-3-7-19-12-17(23-11-15(19)20)5-8-18(9-6-17)16(21)14-4-10-22-13(14)2/h3-4,10H,1,5-9,11-12H2,2H3
InChIKeyQNGZXDPACZEZNI-UHFFFAOYSA-N
XLogP1.61
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370220
4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384675
9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471398
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652
9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384670
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
(2-methylfuran-3-yl)-[3-(pyrimidin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131663568
(2-methylfuran-3-yl)-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97449506
1-benzyl-8-(2-methylfuran-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493907

Frequently Asked Questions

What is the IUPAC name of 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471407) is 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCN(C(=O)c3ccoc3C)CC2)OCC1=O.
What is the InChIKey of 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QNGZXDPACZEZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-7-19-12-17(23-11-15(19)20)5-8-18(9-6-17)16(21)14-4-10-22-13(14)2/h3-4,10H,1,5-9,11-12H2,2H3.
What are the key properties of 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).