N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide

C12H19NO2 — CID 103279925

IUPACN-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-12(15)13-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3,(H,13,15)
InChIKeyZLNSBSVIMDSQFX-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide

N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide (PubChem CID 103279925) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide
PubChem CID103279925
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC1CCC(O)C1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-12(15)13-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3,(H,13,15)
InChIKeyZLNSBSVIMDSQFX-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.40
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-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide (CID 103279925) is N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide?
The InChIKey is ZLNSBSVIMDSQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-12(15)13-9-10-6-7-11(14)8-10/h2-5,10-11,14H,6-9H2,1H3,(H,13,15).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide?
N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide has a molecular weight of 209.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]hexa-2,4-dienamide is sourced from PubChem (CID 103279925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).