(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H24N2O2 — CID 25452902

IUPAC(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C16H24N2O2/c1-2-4-14(19)18-10-8-16(12-18)7-3-9-17(15(16)20)11-13-5-6-13/h2,13H,1,3-12H2/t16-/m0/s1
InChIKeyVTUBVHPLQAVPOZ-INIZCTEOSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds4

About (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25452902) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25452902
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1
InChIInChI=1S/C16H24N2O2/c1-2-4-14(19)18-10-8-16(12-18)7-3-9-17(15(16)20)11-13-5-6-13/h2,13H,1,3-12H2/t16-/m0/s1
InChIKeyVTUBVHPLQAVPOZ-INIZCTEOSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
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-Allyl-5-oxo-3-pyrrolidinyl)carbonyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72880564
9-(1-Fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131686315
2-(3-Butenoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206696
2-(1-Cyclohexen-1-ylacetyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45215126
3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 173514332
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
(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
(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 26403531
(5R)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 26403532

Frequently Asked Questions

What is the IUPAC name of (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25452902) is (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is C=CCC(=O)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1.
What is the InChIKey of (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VTUBVHPLQAVPOZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-4-14(19)18-10-8-16(12-18)7-3-9-17(15(16)20)11-13-5-6-13/h2,13H,1,3-12H2/t16-/m0/s1.
What are the key properties of (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-but-3-enoyl-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25452902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).