9-imino-3,7,10-trimethylundeca-7,10-dien-2-one

C14H23NO — CID 123272303

IUPAC9-imino-3,7,10-trimethylundeca-7,10-dien-2-one
SMILES[H]/N=C(/C=C(C)CCCC(C)C(C)=O)C(=C)C
InChIInChI=1S/C14H23NO/c1-10(2)14(15)9-11(3)7-6-8-12(4)13(5)16/h9,12,15H,1,6-8H2,2-5H3/b11-9?,15-14-
InChIKeyUSIOXGAGUGFXQE-UHKYADABSA-N
MW221.34 g/mol
LogP3.92
Rot. Bonds7

About 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one

9-imino-3,7,10-trimethylundeca-7,10-dien-2-one (PubChem CID 123272303) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one.

Molecular Properties

Compound Name9-imino-3,7,10-trimethylundeca-7,10-dien-2-one
PubChem CID123272303
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name9-imino-3,7,10-trimethylundeca-7,10-dien-2-one
SMILES[H]/N=C(/C=C(C)CCCC(C)C(C)=O)C(=C)C
InChIInChI=1S/C14H23NO/c1-10(2)14(15)9-11(3)7-6-8-12(4)13(5)16/h9,12,15H,1,6-8H2,2-5H3/b11-9?,15-14-
InChIKeyUSIOXGAGUGFXQE-UHKYADABSA-N
XLogP3.92
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.92
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

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1-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-1-iminopropan-2-one
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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
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1-(6-Iminocyclohexen-1-yl)propan-2-one
CID 91240495
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CID 91262997

Frequently Asked Questions

What is the IUPAC name of 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one?
The IUPAC name of 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one (CID 123272303) is 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one.
What is the SMILES notation for 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one?
The canonical SMILES for 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one is [H]/N=C(/C=C(C)CCCC(C)C(C)=O)C(=C)C.
What is the InChIKey of 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one?
The InChIKey is USIOXGAGUGFXQE-UHKYADABSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)14(15)9-11(3)7-6-8-12(4)13(5)16/h9,12,15H,1,6-8H2,2-5H3/b11-9?,15-14-.
What are the key properties of 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one?
9-imino-3,7,10-trimethylundeca-7,10-dien-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imino-3,7,10-trimethylundeca-7,10-dien-2-one is sourced from PubChem (CID 123272303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).