3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide

C14H22N2O2 — CID 110203996

IUPAC3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide
SMILESC=CCNC(=O)C1N(C(C)C)C(=O)C12CCCC2
InChIInChI=1S/C14H22N2O2/c1-4-9-15-12(17)11-14(7-5-6-8-14)13(18)16(11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,15,17)
InChIKeyYXLFLNQGSCKCEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds4

About 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide

3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide (PubChem CID 110203996) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide.

Molecular Properties

Compound Name3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide
PubChem CID110203996
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide
SMILESC=CCNC(=O)C1N(C(C)C)C(=O)C12CCCC2
InChIInChI=1S/C14H22N2O2/c1-4-9-15-12(17)11-14(7-5-6-8-14)13(18)16(11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,15,17)
InChIKeyYXLFLNQGSCKCEP-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.47
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 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide?
The IUPAC name of 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide (CID 110203996) is 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide.
What is the SMILES notation for 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide?
The canonical SMILES for 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide is C=CCNC(=O)C1N(C(C)C)C(=O)C12CCCC2.
What is the InChIKey of 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide?
The InChIKey is YXLFLNQGSCKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-9-15-12(17)11-14(7-5-6-8-14)13(18)16(11)10(2)3/h4,10-11H,1,5-9H2,2-3H3,(H,15,17).
What are the key properties of 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide?
3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propan-2-yl-N-prop-2-enyl-2-azaspiro[3.4]octane-1-carboxamide is sourced from PubChem (CID 110203996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).