2-imino-6-methyldec-8-en-3-one

C11H19NO — CID 90885707

IUPAC2-imino-6-methyldec-8-en-3-one
SMILES[H]/N=C(\C)C(=O)CCC(C)CC=CC
InChIInChI=1S/C11H19NO/c1-4-5-6-9(2)7-8-11(13)10(3)12/h4-5,9,12H,6-8H2,1-3H3/b5-4?,12-10+
InChIKeyVOVKPIIJOMZTJE-CRWLTNTCSA-N
MW181.28 g/mol
LogP2.98
Rot. Bonds6

About 2-imino-6-methyldec-8-en-3-one

2-imino-6-methyldec-8-en-3-one (PubChem CID 90885707) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-imino-6-methyldec-8-en-3-one.

Molecular Properties

Compound Name2-imino-6-methyldec-8-en-3-one
PubChem CID90885707
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-imino-6-methyldec-8-en-3-one
SMILES[H]/N=C(\C)C(=O)CCC(C)CC=CC
InChIInChI=1S/C11H19NO/c1-4-5-6-9(2)7-8-11(13)10(3)12/h4-5,9,12H,6-8H2,1-3H3/b5-4?,12-10+
InChIKeyVOVKPIIJOMZTJE-CRWLTNTCSA-N
XLogP2.98
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-iminodec-7-en-2-one
CID 88953848
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
(9E,12E)-13-ethyl-8-imino-4,9,10,15-tetramethyl-5-(3-methylbut-1-en-2-yl)hexadeca-9,12-dien-2-one
CID 90875133
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
(Z,5E)-5-ethylidene-6-imino-3-methyldec-7-en-4-one
CID 91262997
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655
9-Imino-3,7,10-trimethylundeca-7,10-dien-2-one
CID 123272303
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
(4Z)-2-ethyl-3-iminocyclooct-4-en-1-one
CID 123433659
6-Imino-2,7,9-trimethyl-1-(3-propylidenecyclobutylidene)decan-5-one
CID 123497107

Frequently Asked Questions

What is the IUPAC name of 2-imino-6-methyldec-8-en-3-one?
The IUPAC name of 2-imino-6-methyldec-8-en-3-one (CID 90885707) is 2-imino-6-methyldec-8-en-3-one.
What is the SMILES notation for 2-imino-6-methyldec-8-en-3-one?
The canonical SMILES for 2-imino-6-methyldec-8-en-3-one is [H]/N=C(\C)C(=O)CCC(C)CC=CC.
What is the InChIKey of 2-imino-6-methyldec-8-en-3-one?
The InChIKey is VOVKPIIJOMZTJE-CRWLTNTCSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-9(2)7-8-11(13)10(3)12/h4-5,9,12H,6-8H2,1-3H3/b5-4?,12-10+.
What are the key properties of 2-imino-6-methyldec-8-en-3-one?
2-imino-6-methyldec-8-en-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6-methyldec-8-en-3-one is sourced from PubChem (CID 90885707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).