(E)-2-iminonon-7-ene-3,6-dione

C9H13NO2 — CID 123712216

IUPAC(E)-2-iminonon-7-ene-3,6-dione
SMILES[H]/N=C(\C)C(=O)CCC(=O)/C=C/C
InChIInChI=1S/C9H13NO2/c1-3-4-8(11)5-6-9(12)7(2)10/h3-4,10H,5-6H2,1-2H3/b4-3+,10-7+
InChIKeyUWSWOHDGTCEFHP-YZQQHVNFSA-N
MW167.21 g/mol
LogP1.52
Rot. Bonds5

About (E)-2-iminonon-7-ene-3,6-dione

(E)-2-iminonon-7-ene-3,6-dione (PubChem CID 123712216) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (E)-2-iminonon-7-ene-3,6-dione.

Molecular Properties

Compound Name(E)-2-iminonon-7-ene-3,6-dione
PubChem CID123712216
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(E)-2-iminonon-7-ene-3,6-dione
SMILES[H]/N=C(\C)C(=O)CCC(=O)/C=C/C
InChIInChI=1S/C9H13NO2/c1-3-4-8(11)5-6-9(12)7(2)10/h3-4,10H,5-6H2,1-2H3/b4-3+,10-7+
InChIKeyUWSWOHDGTCEFHP-YZQQHVNFSA-N
XLogP1.52
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Iminobenzoquinone
CID 21281702
1,2-Benzoquinonimine
CID 57115097
3,5-Dimethyl-1,4-benzoquinonimine
CID 129743105
imino-p-benzoquinone-O-oxide
CID 129714712
5-Imino-2-methylcyclohex-2-ene-1,4-dione
CID 56613538
6-Imino-2-methylcyclohex-2-ene-1,4-dione
CID 57192632
(Z)-3-iminodec-7-en-2-one
CID 88953848
2-Ethylidene-5-iminocyclohexane-1,4-dione
CID 90860502
(5Z)-3-iminonona-5,7,8-trien-4-one
CID 91220623
3-But-2-enylidene-5-iminohexane-2,4-dione
CID 123328689
(E)-5-iminohept-2-en-4-one
CID 123461614
3-Ethylidene-5-iminohexane-2,4-dione
CID 123872207

Frequently Asked Questions

What is the IUPAC name of (E)-2-iminonon-7-ene-3,6-dione?
The IUPAC name of (E)-2-iminonon-7-ene-3,6-dione (CID 123712216) is (E)-2-iminonon-7-ene-3,6-dione.
What is the SMILES notation for (E)-2-iminonon-7-ene-3,6-dione?
The canonical SMILES for (E)-2-iminonon-7-ene-3,6-dione is [H]/N=C(\C)C(=O)CCC(=O)/C=C/C.
What is the InChIKey of (E)-2-iminonon-7-ene-3,6-dione?
The InChIKey is UWSWOHDGTCEFHP-YZQQHVNFSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-4-8(11)5-6-9(12)7(2)10/h3-4,10H,5-6H2,1-2H3/b4-3+,10-7+.
What are the key properties of (E)-2-iminonon-7-ene-3,6-dione?
(E)-2-iminonon-7-ene-3,6-dione has a molecular weight of 167.21 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-iminonon-7-ene-3,6-dione is sourced from PubChem (CID 123712216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).