N-(6-chloro-1-hydroxyhexyl)prop-2-enamide

C9H16ClNO2 — CID 23129326

IUPACN-(6-chloro-1-hydroxyhexyl)prop-2-enamide
SMILESC=CC(=O)NC(O)CCCCCCl
InChIInChI=1S/C9H16ClNO2/c1-2-8(12)11-9(13)6-4-3-5-7-10/h2,9,13H,1,3-7H2,(H,11,12)
InChIKeyGOHVAWNWWCJFQG-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.41
Rot. Bonds7

About N-(6-chloro-1-hydroxyhexyl)prop-2-enamide

N-(6-chloro-1-hydroxyhexyl)prop-2-enamide (PubChem CID 23129326) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is N-(6-chloro-1-hydroxyhexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(6-chloro-1-hydroxyhexyl)prop-2-enamide
PubChem CID23129326
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC NameN-(6-chloro-1-hydroxyhexyl)prop-2-enamide
SMILESC=CC(=O)NC(O)CCCCCCl
InChIInChI=1S/C9H16ClNO2/c1-2-8(12)11-9(13)6-4-3-5-7-10/h2,9,13H,1,3-7H2,(H,11,12)
InChIKeyGOHVAWNWWCJFQG-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-hydroxyhexyl)prop-2-enamide?
The IUPAC name of N-(6-chloro-1-hydroxyhexyl)prop-2-enamide (CID 23129326) is N-(6-chloro-1-hydroxyhexyl)prop-2-enamide.
What is the SMILES notation for N-(6-chloro-1-hydroxyhexyl)prop-2-enamide?
The canonical SMILES for N-(6-chloro-1-hydroxyhexyl)prop-2-enamide is C=CC(=O)NC(O)CCCCCCl.
What is the InChIKey of N-(6-chloro-1-hydroxyhexyl)prop-2-enamide?
The InChIKey is GOHVAWNWWCJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-2-8(12)11-9(13)6-4-3-5-7-10/h2,9,13H,1,3-7H2,(H,11,12).
What are the key properties of N-(6-chloro-1-hydroxyhexyl)prop-2-enamide?
N-(6-chloro-1-hydroxyhexyl)prop-2-enamide has a molecular weight of 205.68 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-hydroxyhexyl)prop-2-enamide is sourced from PubChem (CID 23129326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).