(E)-1-chloronon-1-en-3-one

C9H15ClO — CID 12585287

IUPAC(E)-1-chloronon-1-en-3-one
SMILESCCCCCCC(=O)/C=C/Cl
InChIInChI=1S/C9H15ClO/c1-2-3-4-5-6-9(11)7-8-10/h7-8H,2-6H2,1H3/b8-7+
InChIKeyBIAFTAGHANGPGY-BQYQJAHWSA-N
MW174.67 g/mol
LogP3.28
Rot. Bonds6

About (E)-1-chloronon-1-en-3-one

(E)-1-chloronon-1-en-3-one (PubChem CID 12585287) has the molecular formula C9H15ClO and a molecular weight of 174.67 g/mol. Its IUPAC name is (E)-1-chloronon-1-en-3-one.

Molecular Properties

Compound Name(E)-1-chloronon-1-en-3-one
PubChem CID12585287
Molecular FormulaC9H15ClO
Molecular Weight174.67 g/mol
Exact Mass174.08
IUPAC Name(E)-1-chloronon-1-en-3-one
SMILESCCCCCCC(=O)/C=C/Cl
InChIInChI=1S/C9H15ClO/c1-2-3-4-5-6-9(11)7-8-10/h7-8H,2-6H2,1H3/b8-7+
InChIKeyBIAFTAGHANGPGY-BQYQJAHWSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-tridec-3-ene-2,5-dione
CID 12564114
(Z)-hexadec-9-en-8-one
CID 134907163
(E)-henicos-9-en-11-one
CID 6366356
henicos-9-en-11-one
CID 3023243
(E)-1-hydroxynonadec-2-en-4-one
CID 6366716
(E)-icos-11-en-10-one
CID 101359358
(E)-1-bromooct-1-en-3-one
CID 11790338

Frequently Asked Questions

What is the IUPAC name of (E)-1-chloronon-1-en-3-one?
The IUPAC name of (E)-1-chloronon-1-en-3-one (CID 12585287) is (E)-1-chloronon-1-en-3-one.
What is the SMILES notation for (E)-1-chloronon-1-en-3-one?
The canonical SMILES for (E)-1-chloronon-1-en-3-one is CCCCCCC(=O)/C=C/Cl.
What is the InChIKey of (E)-1-chloronon-1-en-3-one?
The InChIKey is BIAFTAGHANGPGY-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15ClO/c1-2-3-4-5-6-9(11)7-8-10/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-1-chloronon-1-en-3-one?
(E)-1-chloronon-1-en-3-one 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 (E)-1-chloronon-1-en-3-one is sourced from PubChem (CID 12585287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).