N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide

C14H17N3O — CID 71387154

IUPACN-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide
SMILESCC(=O)NC1=CCCCC1=NNc1ccccc1
InChIInChI=1S/C14H17N3O/c1-11(18)15-13-9-5-6-10-14(13)17-16-12-7-3-2-4-8-12/h2-4,7-9,16H,5-6,10H2,1H3,(H,15,18)
InChIKeyJYYLZZUDUNOSPY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.66
Rot. Bonds3

About N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide

N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide (PubChem CID 71387154) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide
PubChem CID71387154
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide
SMILESCC(=O)NC1=CCCCC1=NNc1ccccc1
InChIInChI=1S/C14H17N3O/c1-11(18)15-13-9-5-6-10-14(13)17-16-12-7-3-2-4-8-12/h2-4,7-9,16H,5-6,10H2,1H3,(H,15,18)
InChIKeyJYYLZZUDUNOSPY-UHFFFAOYSA-N
XLogP2.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide?
The IUPAC name of N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide (CID 71387154) is N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide.
What is the SMILES notation for N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide?
The canonical SMILES for N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide is CC(=O)NC1=CCCCC1=NNc1ccccc1.
What is the InChIKey of N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide?
The InChIKey is JYYLZZUDUNOSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(18)15-13-9-5-6-10-14(13)17-16-12-7-3-2-4-8-12/h2-4,7-9,16H,5-6,10H2,1H3,(H,15,18).
What are the key properties of N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide?
N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(phenylhydrazinylidene)cyclohexen-1-yl]acetamide is sourced from PubChem (CID 71387154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).