(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide

C12H23NO2 — CID 103861967

IUPAC(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCCC(C)CO
InChIInChI=1S/C12H23NO2/c1-4-6-11(3)12(15)13-8-5-7-10(2)9-14/h6,10,14H,4-5,7-9H2,1-3H3,(H,13,15)/b11-6-
InChIKeyOFLJVDHMCRJOOM-WDZFZDKYSA-N
MW213.32 g/mol
LogP1.87
Rot. Bonds7

About (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide

(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide (PubChem CID 103861967) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
PubChem CID103861967
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)NCCCC(C)CO
InChIInChI=1S/C12H23NO2/c1-4-6-11(3)12(15)13-8-5-7-10(2)9-14/h6,10,14H,4-5,7-9H2,1-3H3,(H,13,15)/b11-6-
InChIKeyOFLJVDHMCRJOOM-WDZFZDKYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-hydroxypentyl)-2-methylprop-2-enamide
CID 11829900
5-Hydroxy-4-iso-butyl-1,5-dihydropyrrol-2-one
CID 69921814
N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
CID 71018014
(E)-4-hydroxy-2-(3-hydroxypropyl)-7-methyl-N-(2-methylpropyl)oct-2-enamide
CID 88135779
(Z)-N-(5-hydroxypentyl)hex-3-enamide
CID 89805033
2-hydroxy-3-propyl-2,3-dihydro-1H-pyridin-6-one
CID 134317118
(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide
CID 138457935
6-hydroxy-2-methyl-N-propylhex-2-enamide
CID 141458423
N-ethyl-6-hydroxy-2-methylhex-2-enamide
CID 141458431
N-(5-hydroxy-4-methylpentyl)-2-methylprop-2-enamide
CID 174385019
(E)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 43589519
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpent-2-enamide
CID 61245294

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide (CID 103861967) is (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide is CC/C=C(/C)C(=O)NCCCC(C)CO.
What is the InChIKey of (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
The InChIKey is OFLJVDHMCRJOOM-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-11(3)12(15)13-8-5-7-10(2)9-14/h6,10,14H,4-5,7-9H2,1-3H3,(H,13,15)/b11-6-.
What are the key properties of (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide?
(Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-hydroxy-4-methylpentyl)-2-methylpent-2-enamide is sourced from PubChem (CID 103861967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).