(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one

C21H34N2O2 — CID 26403531

IUPAC(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C21H34N2O2/c1-2-3-10-19(24)23-16-13-21(17-23)12-7-14-22(20(21)25)15-11-18-8-5-4-6-9-18/h2,18H,1,3-17H2/t21-/m0/s1
InChIKeyFJSRDXPHUYBHCK-NRFANRHFSA-N
MW346.52 g/mol
LogP3.76
Rot. Bonds6

About (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26403531) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID26403531
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Name(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESC=CCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1
InChIInChI=1S/C21H34N2O2/c1-2-3-10-19(24)23-16-13-21(17-23)12-7-14-22(20(21)25)15-11-18-8-5-4-6-9-18/h2,18H,1,3-17H2/t21-/m0/s1
InChIKeyFJSRDXPHUYBHCK-NRFANRHFSA-N
XLogP3.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.76
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

(5S)-7-(cyclobutylmethyl)-2-[2-(cyclohexen-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42148013
(5S)-2-[2-(cyclohexen-1-yl)acetyl]-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42302108
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
(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
(5S)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452939
(5R)-2-butanoyl-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25452943
(5R)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one
CID 26403532
(5S)-2-but-3-enoyl-7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26408950

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one (CID 26403531) is (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is C=CCCC(=O)N1CC[C@@]2(CCCN(CCC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FJSRDXPHUYBHCK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-2-3-10-19(24)23-16-13-21(17-23)12-7-14-22(20(21)25)15-11-18-8-5-4-6-9-18/h2,18H,1,3-17H2/t21-/m0/s1.
What are the key properties of (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-cyclohexylethyl)-2-pent-4-enoyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26403531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).