N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide

C13H21NO2 — CID 139017252

IUPACN-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCC2(CCC2)C1O
InChIInChI=1S/C13H21NO2/c1-2-11(15)14-9-10-5-3-6-13(12(10)16)7-4-8-13/h2,10,12,16H,1,3-9H2,(H,14,15)
InChIKeyQSVLDSKKLBROTB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.62
Rot. Bonds3

About N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide

N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide (PubChem CID 139017252) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide
PubChem CID139017252
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCC2(CCC2)C1O
InChIInChI=1S/C13H21NO2/c1-2-11(15)14-9-10-5-3-6-13(12(10)16)7-4-8-13/h2,10,12,16H,1,3-9H2,(H,14,15)
InChIKeyQSVLDSKKLBROTB-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-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide (CID 139017252) is N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide is C=CC(=O)NCC1CCCC2(CCC2)C1O.
What is the InChIKey of N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide?
The InChIKey is QSVLDSKKLBROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-11(15)14-9-10-5-3-6-13(12(10)16)7-4-8-13/h2,10,12,16H,1,3-9H2,(H,14,15).
What are the key properties of N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide?
N-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]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-[(9-hydroxyspiro[3.5]nonan-8-yl)methyl]prop-2-enamide is sourced from PubChem (CID 139017252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).