6-[formyl(prop-2-enoyl)amino]hexanoyl chloride

C10H14ClNO3 — CID 143435246

IUPAC6-[formyl(prop-2-enoyl)amino]hexanoyl chloride
SMILESC=CC(=O)N(C=O)CCCCCC(=O)Cl
InChIInChI=1S/C10H14ClNO3/c1-2-10(15)12(8-13)7-5-3-4-6-9(11)14/h2,8H,1,3-7H2
InChIKeyOYEBKIVNOMPJIJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.48
Rot. Bonds8

About 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride

6-[formyl(prop-2-enoyl)amino]hexanoyl chloride (PubChem CID 143435246) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride.

Molecular Properties

Compound Name6-[formyl(prop-2-enoyl)amino]hexanoyl chloride
PubChem CID143435246
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name6-[formyl(prop-2-enoyl)amino]hexanoyl chloride
SMILESC=CC(=O)N(C=O)CCCCCC(=O)Cl
InChIInChI=1S/C10H14ClNO3/c1-2-10(15)12(8-13)7-5-3-4-6-9(11)14/h2,8H,1,3-7H2
InChIKeyOYEBKIVNOMPJIJ-UHFFFAOYSA-N
XLogP1.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-formyl-N-(6-oxoheptyl)but-2-enamide
CID 142430846
N-[6-[di(prop-2-enoyl)amino]hexyl]-N-prop-2-enoylprop-2-enamide
CID 89189682
6-[[(Z)-but-2-enoyl]-formylamino]-N-propan-2-ylhexanamide
CID 156883011
11-oxoundecanoyl chloride
CID 56995388
7-(diethylamino)heptanoyl chloride
CID 58258251
3-[propan-2-yl(prop-2-enoyl)amino]propanoyl chloride
CID 123230357
6-hydroxyhexanoyl chloride
CID 87077852
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
N-ethenyl-N-icosylhenicosanamide
CID 20565296
(Z)-N-formyl-N-pentylbut-2-enamide
CID 89091731
nonadecanoyl chloride
CID 4250939

Frequently Asked Questions

What is the IUPAC name of 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride?
The IUPAC name of 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride (CID 143435246) is 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride.
What is the SMILES notation for 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride?
The canonical SMILES for 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride is C=CC(=O)N(C=O)CCCCCC(=O)Cl.
What is the InChIKey of 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride?
The InChIKey is OYEBKIVNOMPJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3/c1-2-10(15)12(8-13)7-5-3-4-6-9(11)14/h2,8H,1,3-7H2.
What are the key properties of 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride?
6-[formyl(prop-2-enoyl)amino]hexanoyl chloride has a molecular weight of 231.68 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[formyl(prop-2-enoyl)amino]hexanoyl chloride is sourced from PubChem (CID 143435246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).