(2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

C17H26N2O3 — CID 164637333

IUPAC(2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC[C@@H]1OC2(CCN(C(=O)CC3=CCCCC3)CC2)NC1=O
InChIInChI=1S/C17H26N2O3/c1-2-14-16(21)18-17(22-14)8-10-19(11-9-17)15(20)12-13-6-4-3-5-7-13/h6,14H,2-5,7-12H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyHXWNYZGOUVGSKC-AWEZNQCLSA-N
MW306.41 g/mol
LogP2.12
Rot. Bonds3

About (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one

(2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 164637333) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
PubChem CID164637333
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
SMILESCC[C@@H]1OC2(CCN(C(=O)CC3=CCCCC3)CC2)NC1=O
InChIInChI=1S/C17H26N2O3/c1-2-14-16(21)18-17(22-14)8-10-19(11-9-17)15(20)12-13-6-4-3-5-7-13/h6,14H,2-5,7-12H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyHXWNYZGOUVGSKC-AWEZNQCLSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one (CID 164637333) is (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is CC[C@@H]1OC2(CCN(C(=O)CC3=CCCCC3)CC2)NC1=O.
What is the InChIKey of (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HXWNYZGOUVGSKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-14-16(21)18-17(22-14)8-10-19(11-9-17)15(20)12-13-6-4-3-5-7-13/h6,14H,2-5,7-12H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one?
(2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 306.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-[2-(cyclohexen-1-yl)acetyl]-2-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 164637333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).