1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one

C10H17N3O — CID 138390452

IUPAC1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCCCC2
InChIInChI=1S/C10H17N3O/c1-2-13-9(14)12-8(11)10(13)6-4-3-5-7-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyOSKCUPFZVUBCOG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.71
Rot. Bonds1

About 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one

1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138390452) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138390452
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCCCC2
InChIInChI=1S/C10H17N3O/c1-2-13-9(14)12-8(11)10(13)6-4-3-5-7-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeyOSKCUPFZVUBCOG-UHFFFAOYSA-N
XLogP1.71
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
CID 138389767
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922
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
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one
CID 138389423
4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388776
1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391010
4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389825
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138389354
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391051

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one (CID 138390452) is 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC)C12CCCCC2.
What is the InChIKey of 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is OSKCUPFZVUBCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-13-9(14)12-8(11)10(13)6-4-3-5-7-10/h2-7H2,1H3,(H2,11,12,14).
What are the key properties of 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one?
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).