N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide

C12H19NO2 — CID 43576777

IUPACN-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(C1CC=CCC1)N(CCO)C1CC1
InChIInChI=1S/C12H19NO2/c14-9-8-13(11-6-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2
InChIKeyJUNFXPFQOUOEOD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds4

About N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide

N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 43576777) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
PubChem CID43576777
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(C1CC=CCC1)N(CCO)C1CC1
InChIInChI=1S/C12H19NO2/c14-9-8-13(11-6-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2
InChIKeyJUNFXPFQOUOEOD-UHFFFAOYSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
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-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide (CID 43576777) is N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide is O=C(C1CC=CCC1)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is JUNFXPFQOUOEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-8-13(11-6-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11,14H,3-9H2.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43576777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).