N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide

C13H21NO2 — CID 146094319

IUPACN-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC2(CCC(CO)CC2)C1
InChIInChI=1S/C13H21NO2/c1-2-12(16)14-11-7-13(8-11)5-3-10(9-15)4-6-13/h2,10-11,15H,1,3-9H2,(H,14,16)
InChIKeyJYNOOJXTRFMQFF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.62
Rot. Bonds3

About N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide

N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide (PubChem CID 146094319) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide
PubChem CID146094319
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC2(CCC(CO)CC2)C1
InChIInChI=1S/C13H21NO2/c1-2-12(16)14-11-7-13(8-11)5-3-10(9-15)4-6-13/h2,10-11,15H,1,3-9H2,(H,14,16)
InChIKeyJYNOOJXTRFMQFF-UHFFFAOYSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide?
The IUPAC name of N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide (CID 146094319) is N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide?
The canonical SMILES for N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide is C=CC(=O)NC1CC2(CCC(CO)CC2)C1.
What is the InChIKey of N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide?
The InChIKey is JYNOOJXTRFMQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-12(16)14-11-7-13(8-11)5-3-10(9-15)4-6-13/h2,10-11,15H,1,3-9H2,(H,14,16).
What are the key properties of N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide?
N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide has a molecular weight of 223.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide is sourced from PubChem (CID 146094319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).