1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C18H28N2O3 — CID 91922119

IUPAC1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C18H28N2O3/c1-14(21)20-11-16(12-23-2)18(13-20)7-9-19(10-8-18)17(22)15-5-3-4-6-15/h3-4,15-16H,5-13H2,1-2H3
InChIKeySRPNGIPVFJBPOI-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.69
Rot. Bonds3

About 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone

1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 91922119) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID91922119
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)C1CC=CC1)CC2
InChIInChI=1S/C18H28N2O3/c1-14(21)20-11-16(12-23-2)18(13-20)7-9-19(10-8-18)17(22)15-5-3-4-6-15/h3-4,15-16H,5-13H2,1-2H3
InChIKeySRPNGIPVFJBPOI-UHFFFAOYSA-N
XLogP1.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
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 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone (CID 91922119) is 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is COCC1CN(C(C)=O)CC12CCN(C(=O)C1CC=CC1)CC2.
What is the InChIKey of 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is SRPNGIPVFJBPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(21)20-11-16(12-23-2)18(13-20)7-9-19(10-8-18)17(22)15-5-3-4-6-15/h3-4,15-16H,5-13H2,1-2H3.
What are the key properties of 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 320.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(cyclopent-3-ene-1-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 91922119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).