N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide

C12H19NO2 — CID 42919634

IUPACN-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCCO1)C1CC=CCC1
InChIInChI=1S/C12H19NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-2,10-11H,3-9H2,(H,13,14)
InChIKeyFTGVQEGEZDVZNH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds3

About N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide

N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 42919634) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
PubChem CID42919634
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCCO1)C1CC=CCC1
InChIInChI=1S/C12H19NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-2,10-11H,3-9H2,(H,13,14)
InChIKeyFTGVQEGEZDVZNH-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide (CID 42919634) is N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide is O=C(NCC1CCCO1)C1CC=CCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FTGVQEGEZDVZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h1-2,10-11H,3-9H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide?
N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42919634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).