7-iminonona-1,8-dien-3-one

C9H13NO — CID 154380491

IUPAC7-iminonona-1,8-dien-3-one
SMILES[H]/N=C(\C=C)CCCC(=O)C=C
InChIInChI=1S/C9H13NO/c1-3-8(10)6-5-7-9(11)4-2/h3-4,10H,1-2,5-7H2/b10-8+
InChIKeyYTUAWSXORRWWDH-CSKARUKUSA-N
MW151.21 g/mol
LogP2.12
Rot. Bonds6

About 7-iminonona-1,8-dien-3-one

7-iminonona-1,8-dien-3-one (PubChem CID 154380491) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-iminonona-1,8-dien-3-one.

Molecular Properties

Compound Name7-iminonona-1,8-dien-3-one
PubChem CID154380491
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-iminonona-1,8-dien-3-one
SMILES[H]/N=C(\C=C)CCCC(=O)C=C
InChIInChI=1S/C9H13NO/c1-3-8(10)6-5-7-9(11)4-2/h3-4,10H,1-2,5-7H2/b10-8+
InChIKeyYTUAWSXORRWWDH-CSKARUKUSA-N
XLogP2.12
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-6-iminohept-1-en-3-one
CID 123365402
Malonyl-bis-ethyleneimine
CID 129818723
4-Iminonon-8-en-2-one
CID 123816697
4-Iminooct-7-en-2-one
CID 123949243
7-Iminooct-1-en-3-one
CID 129045735
7-Iminooct-1-en-4-one
CID 138741480
6-Iminoocta-1,7-dien-3-one
CID 177738731

Frequently Asked Questions

What is the IUPAC name of 7-iminonona-1,8-dien-3-one?
The IUPAC name of 7-iminonona-1,8-dien-3-one (CID 154380491) is 7-iminonona-1,8-dien-3-one.
What is the SMILES notation for 7-iminonona-1,8-dien-3-one?
The canonical SMILES for 7-iminonona-1,8-dien-3-one is [H]/N=C(\C=C)CCCC(=O)C=C.
What is the InChIKey of 7-iminonona-1,8-dien-3-one?
The InChIKey is YTUAWSXORRWWDH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8(10)6-5-7-9(11)4-2/h3-4,10H,1-2,5-7H2/b10-8+.
What are the key properties of 7-iminonona-1,8-dien-3-one?
7-iminonona-1,8-dien-3-one has a molecular weight of 151.21 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iminonona-1,8-dien-3-one is sourced from PubChem (CID 154380491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).