(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one

C14H23NO — CID 155394845

IUPAC(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one
SMILESCC(=O)/C=C/CN1CC2(CCCCCC2)C1
InChIInChI=1S/C14H23NO/c1-13(16)7-6-10-15-11-14(12-15)8-4-2-3-5-9-14/h6-7H,2-5,8-12H2,1H3/b7-6+
InChIKeyIUOOHIZYKLRVFB-VOTSOKGWSA-N
MW221.34 g/mol
LogP2.79
Rot. Bonds3

About (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one

(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one (PubChem CID 155394845) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one
PubChem CID155394845
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one
SMILESCC(=O)/C=C/CN1CC2(CCCCCC2)C1
InChIInChI=1S/C14H23NO/c1-13(16)7-6-10-15-11-14(12-15)8-4-2-3-5-9-14/h6-7H,2-5,8-12H2,1H3/b7-6+
InChIKeyIUOOHIZYKLRVFB-VOTSOKGWSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one?
The IUPAC name of (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one (CID 155394845) is (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one?
The canonical SMILES for (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one is CC(=O)/C=C/CN1CC2(CCCCCC2)C1.
What is the InChIKey of (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one?
The InChIKey is IUOOHIZYKLRVFB-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(16)7-6-10-15-11-14(12-15)8-4-2-3-5-9-14/h6-7H,2-5,8-12H2,1H3/b7-6+.
What are the key properties of (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one?
(E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-azaspiro[3.6]decan-2-yl)pent-3-en-2-one is sourced from PubChem (CID 155394845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).