N-spiro[4.5]decan-10-ylprop-2-enamide

C13H21NO — CID 130592881

IUPACN-spiro[4.5]decan-10-ylprop-2-enamide
SMILESC=CC(=O)NC1CCCCC12CCCC2
InChIInChI=1S/C13H21NO/c1-2-12(15)14-11-7-3-4-8-13(11)9-5-6-10-13/h2,11H,1,3-10H2,(H,14,15)
InChIKeyOYJRQALKYGLQFC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.79
Rot. Bonds2

About N-spiro[4.5]decan-10-ylprop-2-enamide

N-spiro[4.5]decan-10-ylprop-2-enamide (PubChem CID 130592881) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-spiro[4.5]decan-10-ylprop-2-enamide.

Molecular Properties

Compound NameN-spiro[4.5]decan-10-ylprop-2-enamide
PubChem CID130592881
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-spiro[4.5]decan-10-ylprop-2-enamide
SMILESC=CC(=O)NC1CCCCC12CCCC2
InChIInChI=1S/C13H21NO/c1-2-12(15)14-11-7-3-4-8-13(11)9-5-6-10-13/h2,11H,1,3-10H2,(H,14,15)
InChIKeyOYJRQALKYGLQFC-UHFFFAOYSA-N
XLogP2.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-spiro[4.5]decan-10-ylprop-2-enamide?
The IUPAC name of N-spiro[4.5]decan-10-ylprop-2-enamide (CID 130592881) is N-spiro[4.5]decan-10-ylprop-2-enamide.
What is the SMILES notation for N-spiro[4.5]decan-10-ylprop-2-enamide?
The canonical SMILES for N-spiro[4.5]decan-10-ylprop-2-enamide is C=CC(=O)NC1CCCCC12CCCC2.
What is the InChIKey of N-spiro[4.5]decan-10-ylprop-2-enamide?
The InChIKey is OYJRQALKYGLQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-12(15)14-11-7-3-4-8-13(11)9-5-6-10-13/h2,11H,1,3-10H2,(H,14,15).
What are the key properties of N-spiro[4.5]decan-10-ylprop-2-enamide?
N-spiro[4.5]decan-10-ylprop-2-enamide has a molecular weight of 207.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[4.5]decan-10-ylprop-2-enamide is sourced from PubChem (CID 130592881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).