N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide

C10H19NO2 — CID 106114961

IUPACN-[2-(2-hydroxyethyl)pentyl]prop-2-enamide
SMILESC=CC(=O)NCC(CCC)CCO
InChIInChI=1S/C10H19NO2/c1-3-5-9(6-7-12)8-11-10(13)4-2/h4,9,12H,2-3,5-8H2,1H3,(H,11,13)
InChIKeyDIWZBKBKEWIPGE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide

N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide (PubChem CID 106114961) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]prop-2-enamide
PubChem CID106114961
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]prop-2-enamide
SMILESC=CC(=O)NCC(CCC)CCO
InChIInChI=1S/C10H19NO2/c1-3-5-9(6-7-12)8-11-10(13)4-2/h4,9,12H,2-3,5-8H2,1H3,(H,11,13)
InChIKeyDIWZBKBKEWIPGE-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
CID 166415805
N-(6-hydroxyhexyl)prop-2-enamide
CID 14411137
N-(2-ethyl-1-hydroxyhexyl)prop-2-enamide
CID 53742378
N-(2-ethyl-1-hydroxyhexyl)-2-methylprop-2-enamide
CID 54440875
N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 57165167
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61247467
N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 66092480
N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide
CID 87108274
N-(1-hydroxyhexyl)prop-2-enamide
CID 89192193
N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 89984153
N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide
CID 106120077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide (CID 106114961) is N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide is C=CC(=O)NCC(CCC)CCO.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide?
The InChIKey is DIWZBKBKEWIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-9(6-7-12)8-11-10(13)4-2/h4,9,12H,2-3,5-8H2,1H3,(H,11,13).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide?
N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide is sourced from PubChem (CID 106114961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).