2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide

C12H21NO3 — CID 63563088

IUPAC2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)CCO
InChIInChI=1S/C12H21NO3/c14-8-6-13(7-9-15)12(16)10-11-4-2-1-3-5-11/h4,14-15H,1-3,5-10H2
InChIKeyBXEYJXIPXGGXRF-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.69
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide

2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 63563088) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID63563088
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide
SMILESO=C(CC1=CCCCC1)N(CCO)CCO
InChIInChI=1S/C12H21NO3/c14-8-6-13(7-9-15)12(16)10-11-4-2-1-3-5-11/h4,14-15H,1-3,5-10H2
InChIKeyBXEYJXIPXGGXRF-UHFFFAOYSA-N
XLogP0.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.69
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 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide (CID 63563088) is 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide is O=C(CC1=CCCCC1)N(CCO)CCO.
What is the InChIKey of 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is BXEYJXIPXGGXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-8-6-13(7-9-15)12(16)10-11-4-2-1-3-5-11/h4,14-15H,1-3,5-10H2.
What are the key properties of 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide?
2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 227.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 63563088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).