N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide

C11H19NO3 — CID 61234886

IUPACN,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(C1CC=CCC1)N(CCO)CCO
InChIInChI=1S/C11H19NO3/c13-8-6-12(7-9-14)11(15)10-4-2-1-3-5-10/h1-2,10,13-14H,3-9H2
InChIKeyVLTKQQZRTYTICZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.16
Rot. Bonds5

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

N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 61234886) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
PubChem CID61234886
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(C1CC=CCC1)N(CCO)CCO
InChIInChI=1S/C11H19NO3/c13-8-6-12(7-9-14)11(15)10-4-2-1-3-5-10/h1-2,10,13-14H,3-9H2
InChIKeyVLTKQQZRTYTICZ-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide (CID 61234886) is N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide is O=C(C1CC=CCC1)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is VLTKQQZRTYTICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-8-6-12(7-9-14)11(15)10-4-2-1-3-5-10/h1-2,10,13-14H,3-9H2.
What are the key properties of N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide?
N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 61234886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).