(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one

C13H21NO — CID 123151880

IUPAC(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
SMILES[H]/N=C(\C=C\C)C(=C)CCCC(C)C(C)=O
InChIInChI=1S/C13H21NO/c1-5-7-13(14)11(3)9-6-8-10(2)12(4)15/h5,7,10,14H,3,6,8-9H2,1-2,4H3/b7-5+,14-13+
InChIKeyKVXAUXRCEDFJDL-JSTHUUKUSA-N
MW207.32 g/mol
LogP3.53
Rot. Bonds7

About (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one

(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one (PubChem CID 123151880) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one.

Molecular Properties

Compound Name(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
PubChem CID123151880
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
SMILES[H]/N=C(\C=C\C)C(=C)CCCC(C)C(C)=O
InChIInChI=1S/C13H21NO/c1-5-7-13(14)11(3)9-6-8-10(2)12(4)15/h5,7,10,14H,3,6,8-9H2,1-2,4H3/b7-5+,14-13+
InChIKeyKVXAUXRCEDFJDL-JSTHUUKUSA-N
XLogP3.53
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-Diimino-3,5-dimethylcyclohex-2-en-1-one
CID 57207871
1-Cyclohex-3-en-1-yl-1-iminopropan-2-one
CID 89105658
1-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-1-iminopropan-2-one
CID 89336565
3-Imino-5,5-dimethyl-2-(3,6,7-trimethylideneundeca-4,8,10-trien-2-yl)cyclohexan-1-one
CID 90711489
5-[6-(Aminomethyl)-5-iminocyclohex-3-en-1-yl]-3-methylhexan-2-one
CID 90741095
(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
2-Imino-6-methyldec-8-en-3-one
CID 90885707
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
10-Ethanimidoyl-3,7,11,11-tetramethyldodec-7-ene-2,9-dione
CID 91000485
1-(6-Iminocyclohexen-1-yl)propan-2-one
CID 91240495
(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

Frequently Asked Questions

What is the IUPAC name of (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one?
The IUPAC name of (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one (CID 123151880) is (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one.
What is the SMILES notation for (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one?
The canonical SMILES for (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one is [H]/N=C(\C=C\C)C(=C)CCCC(C)C(C)=O.
What is the InChIKey of (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one?
The InChIKey is KVXAUXRCEDFJDL-JSTHUUKUSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-13(14)11(3)9-6-8-10(2)12(4)15/h5,7,10,14H,3,6,8-9H2,1-2,4H3/b7-5+,14-13+.
What are the key properties of (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one?
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one has a molecular weight of 207.32 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one is sourced from PubChem (CID 123151880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).