N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide

C10H14N2O — CID 11298284

IUPACN-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)NCC1CC=C(C#N)CC1
InChIInChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2,10H,3-5,7H2,1H3,(H,12,13)
InChIKeyJMWJSPZHXKMKOS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.37
Rot. Bonds2

About N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide

N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide (PubChem CID 11298284) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide
PubChem CID11298284
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)NCC1CC=C(C#N)CC1
InChIInChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2,10H,3-5,7H2,1H3,(H,12,13)
InChIKeyJMWJSPZHXKMKOS-UHFFFAOYSA-N
XLogP1.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide?
The IUPAC name of N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide (CID 11298284) is N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide?
The canonical SMILES for N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide is CC(=O)NCC1CC=C(C#N)CC1.
What is the InChIKey of N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide?
The InChIKey is JMWJSPZHXKMKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(13)12-7-10-4-2-9(6-11)3-5-10/h2,10H,3-5,7H2,1H3,(H,12,13).
What are the key properties of N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide?
N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide has a molecular weight of 178.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanocyclohex-3-en-1-yl)methyl]acetamide is sourced from PubChem (CID 11298284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).