N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide

C14H23NO2 — CID 103771961

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H23NO2/c1-2-3-5-8-13(17)15-11-14(12-16)9-6-4-7-10-14/h2-3,5,8,16H,4,6-7,9-12H2,1H3,(H,15,17)
InChIKeyBLSPERYMRAARAO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide (PubChem CID 103771961) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide
PubChem CID103771961
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC1(CO)CCCCC1
InChIInChI=1S/C14H23NO2/c1-2-3-5-8-13(17)15-11-14(12-16)9-6-4-7-10-14/h2-3,5,8,16H,4,6-7,9-12H2,1H3,(H,15,17)
InChIKeyBLSPERYMRAARAO-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide (CID 103771961) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCC1(CO)CCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide?
The InChIKey is BLSPERYMRAARAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-5-8-13(17)15-11-14(12-16)9-6-4-7-10-14/h2-3,5,8,16H,4,6-7,9-12H2,1H3,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide has a molecular weight of 237.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]hexa-2,4-dienamide is sourced from PubChem (CID 103771961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).