4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one

C12H19N3O — CID 138391195

IUPAC4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C12CCC(C)(C)C2
InChIInChI=1S/C12H19N3O/c1-4-7-15-10(16)14-9(13)12(15)6-5-11(2,3)8-12/h4H,1,5-8H2,2-3H3,(H2,13,14,16)
InChIKeyPIQPERCNFVENOV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds2

About 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one

4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one (PubChem CID 138391195) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
PubChem CID138391195
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C12CCC(C)(C)C2
InChIInChI=1S/C12H19N3O/c1-4-7-15-10(16)14-9(13)12(15)6-5-11(2,3)8-12/h4H,1,5-8H2,2-3H3,(H2,13,14,16)
InChIKeyPIQPERCNFVENOV-UHFFFAOYSA-N
XLogP2.12
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one (CID 138391195) is 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one is [H]/N=C1\NC(=O)N(CC=C)C12CCC(C)(C)C2.
What is the InChIKey of 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one?
The InChIKey is PIQPERCNFVENOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-15-10(16)14-9(13)12(15)6-5-11(2,3)8-12/h4H,1,5-8H2,2-3H3,(H2,13,14,16).
What are the key properties of 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one?
4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138391195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).