ethene;3-iminopent-4-en-2-one

C7H11NO — CID 156729474

IUPACethene;3-iminopent-4-en-2-one
SMILESC=C.[H]/N=C(\C=C)C(C)=O
InChIInChI=1S/C5H7NO.C2H4/c1-3-5(6)4(2)7;1-2/h3,6H,1H2,2H3;1-2H2/b6-5+;
InChIKeyHLMHAFJTMUWLQB-IPZCTEOASA-N
MW125.17 g/mol
LogP1.58
Rot. Bonds2

About ethene;3-iminopent-4-en-2-one

ethene;3-iminopent-4-en-2-one (PubChem CID 156729474) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is ethene;3-iminopent-4-en-2-one.

Molecular Properties

Compound Nameethene;3-iminopent-4-en-2-one
PubChem CID156729474
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Nameethene;3-iminopent-4-en-2-one
SMILESC=C.[H]/N=C(\C=C)C(C)=O
InChIInChI=1S/C5H7NO.C2H4/c1-3-5(6)4(2)7;1-2/h3,6H,1H2,2H3;1-2H2/b6-5+;
InChIKeyHLMHAFJTMUWLQB-IPZCTEOASA-N
XLogP1.58
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.58
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

Malonyl-bis-ethyleneimine
CID 129818723
3-Diazopent-4-en-2-one
CID 72740509
2-Iminohept-6-en-3-one
CID 123621862
4-Iminohex-5-en-2-one
CID 123981827
3-Iminopent-4-en-2-one
CID 124026472
4-Iminohex-5-en-3-one
CID 124031999
4-Iminohex-1-en-3-one
CID 141220668
(4Z)-3-iminohepta-4,6-dien-2-one
CID 141825401
3-Methyliminopent-4-en-2-one
CID 143225458
4-Iminopent-1-en-3-one
CID 144217503
(3E)-3-(methylidenehydrazinylidene)pent-4-en-2-one
CID 145273493
Ethane;3-iminopent-4-en-2-one
CID 145294770

Frequently Asked Questions

What is the IUPAC name of ethene;3-iminopent-4-en-2-one?
The IUPAC name of ethene;3-iminopent-4-en-2-one (CID 156729474) is ethene;3-iminopent-4-en-2-one.
What is the SMILES notation for ethene;3-iminopent-4-en-2-one?
The canonical SMILES for ethene;3-iminopent-4-en-2-one is C=C.[H]/N=C(\C=C)C(C)=O.
What is the InChIKey of ethene;3-iminopent-4-en-2-one?
The InChIKey is HLMHAFJTMUWLQB-IPZCTEOASA-N. The full InChI is InChI=1S/C5H7NO.C2H4/c1-3-5(6)4(2)7;1-2/h3,6H,1H2,2H3;1-2H2/b6-5+;.
What are the key properties of ethene;3-iminopent-4-en-2-one?
ethene;3-iminopent-4-en-2-one has a molecular weight of 125.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;3-iminopent-4-en-2-one is sourced from PubChem (CID 156729474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).