8-chloro-1-iminodeca-7,9-dien-3-one

C10H14ClNO — CID 123240404

IUPAC8-chloro-1-iminodeca-7,9-dien-3-one
SMILES[H]/N=C/CC(=O)CCCC=C(Cl)C=C
InChIInChI=1S/C10H14ClNO/c1-2-9(11)5-3-4-6-10(13)7-8-12/h2,5,8,12H,1,3-4,6-7H2/b9-5?,12-8+
InChIKeySDUIGKBFZDXCPN-LCYGUJRPSA-N
MW199.68 g/mol
LogP3.07
Rot. Bonds7

About 8-chloro-1-iminodeca-7,9-dien-3-one

8-chloro-1-iminodeca-7,9-dien-3-one (PubChem CID 123240404) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 8-chloro-1-iminodeca-7,9-dien-3-one.

Molecular Properties

Compound Name8-chloro-1-iminodeca-7,9-dien-3-one
PubChem CID123240404
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name8-chloro-1-iminodeca-7,9-dien-3-one
SMILES[H]/N=C/CC(=O)CCCC=C(Cl)C=C
InChIInChI=1S/C10H14ClNO/c1-2-9(11)5-3-4-6-10(13)7-8-12/h2,5,8,12H,1,3-4,6-7H2/b9-5?,12-8+
InChIKeySDUIGKBFZDXCPN-LCYGUJRPSA-N
XLogP3.07
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Ethenyl-1-iminohept-5-en-2-one
CID 123378574
8-Chloro-2-methanimidoyldeca-1,7,9-trien-3-one
CID 123698294
(5Z,6Z)-5-ethylidene-1-iminonona-6,8-dien-2-one
CID 130369909
(E)-1-iminodec-7-en-5-one
CID 163888940

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-iminodeca-7,9-dien-3-one?
The IUPAC name of 8-chloro-1-iminodeca-7,9-dien-3-one (CID 123240404) is 8-chloro-1-iminodeca-7,9-dien-3-one.
What is the SMILES notation for 8-chloro-1-iminodeca-7,9-dien-3-one?
The canonical SMILES for 8-chloro-1-iminodeca-7,9-dien-3-one is [H]/N=C/CC(=O)CCCC=C(Cl)C=C.
What is the InChIKey of 8-chloro-1-iminodeca-7,9-dien-3-one?
The InChIKey is SDUIGKBFZDXCPN-LCYGUJRPSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-9(11)5-3-4-6-10(13)7-8-12/h2,5,8,12H,1,3-4,6-7H2/b9-5?,12-8+.
What are the key properties of 8-chloro-1-iminodeca-7,9-dien-3-one?
8-chloro-1-iminodeca-7,9-dien-3-one has a molecular weight of 199.68 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-iminodeca-7,9-dien-3-one is sourced from PubChem (CID 123240404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).