2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

C17H28N2O2 — CID 45206696

IUPAC2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCC(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C17H28N2O2/c1-5-7-14(20)18-11-9-17(13-18)8-6-10-19(15(17)21)12-16(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyKDLRBKMTVBWIKV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.45
Rot. Bonds3

About 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45206696) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45206696
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCC(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C17H28N2O2/c1-5-7-14(20)18-11-9-17(13-18)8-6-10-19(15(17)21)12-16(2,3)4/h5H,1,6-13H2,2-4H3
InChIKeyKDLRBKMTVBWIKV-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(1-Fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131686315
7-methyl-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 45217622
[1-(2,2-Dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56702288
ethane;(2Z,4Z,6Z)-4-methylocta-2,4,6-triene;9-methyl-2-(2-oxopropyl)-2,9-diazaspiro[4.5]decan-1-one
CID 144161823
ethane;(2Z,4Z,6Z)-4-methylnona-2,4,6-triene;9-methyl-2-(2-oxopropyl)-2,9-diazaspiro[4.5]decan-1-one
CID 144161893
9-Acetyl-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 162763545
1-[(3S)-3-(3-methylidenepyrrolidine-1-carbonyl)piperidin-1-yl]but-3-en-1-one
CID 178063236
(5S)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 25294835
(5R)-7-(cyclohexylmethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 25294836
(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452902
(5R)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452907
1-[4-(3-Oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one
CID 26392922

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45206696) is 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one is C=CCC(=O)N1CCC2(CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is KDLRBKMTVBWIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-7-14(20)18-11-9-17(13-18)8-6-10-19(15(17)21)12-16(2,3)4/h5H,1,6-13H2,2-4H3.
What are the key properties of 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one?
2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 292.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45206696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).