non-3-enoyl chloride

C9H15ClO — CID 71403525

IUPACnon-3-enoyl chloride
SMILESCCCCCC=CCC(=O)Cl
InChIInChI=1S/C9H15ClO/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3
InChIKeyZJHVRKOJRYXRBP-UHFFFAOYSA-N
MW174.67 g/mol
LogP3.28
Rot. Bonds6

About non-3-enoyl chloride

non-3-enoyl chloride (PubChem CID 71403525) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is non-3-enoyl chloride.

Molecular Properties

Compound Namenon-3-enoyl chloride
PubChem CID71403525
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Namenon-3-enoyl chloride
SMILESCCCCCC=CCC(=O)Cl
InChIInChI=1S/C9H15ClO/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3
InChIKeyZJHVRKOJRYXRBP-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-octadec-6-enoyl chloride
CID 87496565
(Z)-heptadec-10-enoyl chloride
CID 14430044
(E)-dec-4-en-2-one
CID 12955998
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
(Z)-undec-4-en-2-one
CID 177193877
nonadec-3-enamide
CID 54215031
(E)-2,2-dimethyltetradec-5-en-3-one
CID 59409783
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(5E,8E,11E)-icosa-5,8,11-trienoyl chloride
CID 90092049
(11Z,14Z)-icosa-11,14-dienoyl chloride
CID 124636194

Frequently Asked Questions

What is the IUPAC name of non-3-enoyl chloride?
The IUPAC name of non-3-enoyl chloride (CID 71403525) is non-3-enoyl chloride.
What is the SMILES notation for non-3-enoyl chloride?
The canonical SMILES for non-3-enoyl chloride is CCCCCC=CCC(=O)Cl.
What is the InChIKey of non-3-enoyl chloride?
The InChIKey is ZJHVRKOJRYXRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3.
What are the key properties of non-3-enoyl chloride?
non-3-enoyl chloride has a molecular weight of 174.67 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-3-enoyl chloride is sourced from PubChem (CID 71403525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).