1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide

C20H30N2O2 — CID 155870100

IUPAC1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)C1(C)CC=CCC1)CC2
InChIInChI=1S/C20H30N2O2/c1-3-15-22-17(23)9-14-20(22)12-7-16(8-13-20)21-18(24)19(2)10-5-4-6-11-19/h3-5,16H,1,6-15H2,2H3,(H,21,24)
InChIKeyDYDXDIRIYDJLKV-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.34
Rot. Bonds4

About 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide

1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 155870100) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
PubChem CID155870100
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide
SMILESC=CCN1C(=O)CCC12CCC(NC(=O)C1(C)CC=CCC1)CC2
InChIInChI=1S/C20H30N2O2/c1-3-15-22-17(23)9-14-20(22)12-7-16(8-13-20)21-18(24)19(2)10-5-4-6-11-19/h3-5,16H,1,6-15H2,2H3,(H,21,24)
InChIKeyDYDXDIRIYDJLKV-UHFFFAOYSA-N
XLogP3.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide (CID 155870100) is 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide is C=CCN1C(=O)CCC12CCC(NC(=O)C1(C)CC=CCC1)CC2.
What is the InChIKey of 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DYDXDIRIYDJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-3-15-22-17(23)9-14-20(22)12-7-16(8-13-20)21-18(24)19(2)10-5-4-6-11-19/h3-5,16H,1,6-15H2,2H3,(H,21,24).
What are the key properties of 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide?
1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxo-1-prop-2-enyl-1-azaspiro[4.5]decan-8-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 155870100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).