N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide

C10H17NO2 — CID 115283586

IUPACN-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)CCO
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-10(13)11-9(2)7-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,11,13)
InChIKeyIPWBRIAMSAGSKA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.01
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide

N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide (PubChem CID 115283586) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
PubChem CID115283586
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(4-hydroxybutan-2-yl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NC(C)CCO
InChIInChI=1S/C10H17NO2/c1-3-4-5-6-10(13)11-9(2)7-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,11,13)
InChIKeyIPWBRIAMSAGSKA-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.01
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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Related Compounds

N-butan-2-ylhexa-2,4-dienamide
CID 76545623
(2E)-N-heptan-2-ylhexa-2,4-dienamide
CID 78841357
N-(1-hydroxy-4,4-dimethylpentan-3-yl)hexa-2,4-dienamide
CID 106353216
(E)-4-(4-hydroxybutan-2-ylamino)-4-oxobut-2-enoic acid
CID 83176411
N-(1-hydroxy-3-methylbutan-2-yl)hexa-2,4-dienamide
CID 79252380
N-(4-phenylbutan-2-yl)hexa-2,4-dienamide
CID 78784970
methyl 2-[[(2E,4E)-hexa-2,4-dienoyl]amino]-3-hydroxypropanoate
CID 43407051
(2E,4E,8Z)-N-butan-2-yldeca-2,4,8-trienamide
CID 87311086
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
(2S)-2-(hexa-2,4-dienoylamino)butanedioic acid
CID 114287498
N-(3-hydroxy-2-methylpropyl)hexa-2,4-dienamide
CID 77055644
(E)-N-[(2R)-butan-2-yl]but-2-enamide
CID 55299648

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide (CID 115283586) is N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide is CC=CC=CC(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide?
The InChIKey is IPWBRIAMSAGSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-4-5-6-10(13)11-9(2)7-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,11,13).
What are the key properties of N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide?
N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)hexa-2,4-dienamide is sourced from PubChem (CID 115283586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).