8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one

C17H22N2O3 — CID 97370220

IUPAC8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCN(C(=O)c3ccoc3C)CC2)C1=O
InChIInChI=1S/C17H22N2O3/c1-3-8-19-11-7-17(16(19)21)5-9-18(10-6-17)15(20)14-4-12-22-13(14)2/h3-4,12H,1,5-11H2,2H3
InChIKeyKZKRUKDHUDJDDT-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.23
Rot. Bonds3

About 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one

8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370220) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370220
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one
SMILESC=CCN1CCC2(CCN(C(=O)c3ccoc3C)CC2)C1=O
InChIInChI=1S/C17H22N2O3/c1-3-8-19-11-7-17(16(19)21)5-9-18(10-6-17)15(20)14-4-12-22-13(14)2/h3-4,12H,1,5-11H2,2H3
InChIKeyKZKRUKDHUDJDDT-UHFFFAOYSA-N
XLogP2.23
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471407
(5R)-2-(2-methoxyethyl)-9-(2-methylfuran-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895274
(5S)-7-(2-methylfuran-3-carbonyl)-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373850
N,N-dimethyl-1-oxo-2-prop-2-enyl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 97370234
8-(2-methylfuran-3-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449934
(5R)-9-(2-methylfuran-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724610
9-(furan-2-carbonyl)-1-methyl-4-prop-2-enyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373327
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
3-ethyl-9-(2-methylfuran-3-carbonyl)-13-(2-methylpropyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134079163
7-(2-methylfuran-3-carbonyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155839248
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 97450408
1-[2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[3.4]octan-7-yl]ethanone
CID 97472652

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one (CID 97370220) is 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one is C=CCN1CCC2(CCN(C(=O)c3ccoc3C)CC2)C1=O.
What is the InChIKey of 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KZKRUKDHUDJDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-8-19-11-7-17(16(19)21)5-9-18(10-6-17)15(20)14-4-12-22-13(14)2/h3-4,12H,1,5-11H2,2H3.
What are the key properties of 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one?
8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 302.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylfuran-3-carbonyl)-2-prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).