4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one

C10H17N3O2 — CID 138389399

IUPAC4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCOCC2
InChIInChI=1S/C10H17N3O2/c1-2-5-13-9(14)12-8(11)10(13)3-6-15-7-4-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeySQHOQCVVWRBHNA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds2

About 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one

4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389399) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389399
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCOCC2
InChIInChI=1S/C10H17N3O2/c1-2-5-13-9(14)12-8(11)10(13)3-6-15-7-4-10/h2-7H2,1H3,(H2,11,12,14)
InChIKeySQHOQCVVWRBHNA-UHFFFAOYSA-N
XLogP0.95
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one (CID 138389399) is 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CCOCC2.
What is the InChIKey of 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SQHOQCVVWRBHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-13-9(14)12-8(11)10(13)3-6-15-7-4-10/h2-7H2,1H3,(H2,11,12,14).
What are the key properties of 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).