4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one

C15H25N3O — CID 138389825

IUPAC4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C12CCCC(CCC)CC2
InChIInChI=1S/C15H25N3O/c1-3-6-12-7-5-9-15(10-8-12)13(16)17-14(19)18(15)11-4-2/h4,12H,2-3,5-11H2,1H3,(H2,16,17,19)
InChIKeyHWXVEALHZPKULT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.29
Rot. Bonds4

About 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one

4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one (PubChem CID 138389825) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
PubChem CID138389825
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CC=C)C12CCCC(CCC)CC2
InChIInChI=1S/C15H25N3O/c1-3-6-12-7-5-9-15(10-8-12)13(16)17-14(19)18(15)11-4-2/h4,12H,2-3,5-11H2,1H3,(H2,16,17,19)
InChIKeyHWXVEALHZPKULT-UHFFFAOYSA-N
XLogP3.29
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.29
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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Related Compounds

4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138391195
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
CID 138389767
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
1-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872407
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391051
5-ethyl-4-imino-5-propan-2-yl-1-prop-2-enylimidazolidin-2-one
CID 138390658
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849

Frequently Asked Questions

What is the IUPAC name of 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one (CID 138389825) is 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one is [H]/N=C1\NC(=O)N(CC=C)C12CCCC(CCC)CC2.
What is the InChIKey of 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one?
The InChIKey is HWXVEALHZPKULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-6-12-7-5-9-15(10-8-12)13(16)17-14(19)18(15)11-4-2/h4,12H,2-3,5-11H2,1H3,(H2,16,17,19).
What are the key properties of 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one?
4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 138389825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).