4-[(Z)-prop-1-enyl]iminopentan-2-one

C8H13NO — CID 144630009

IUPAC4-[(Z)-prop-1-enyl]iminopentan-2-one
SMILESC/C=C\N=C(/C)CC(C)=O
InChIInChI=1S/C8H13NO/c1-4-5-9-7(2)6-8(3)10/h4-5H,6H2,1-3H3/b5-4-,9-7+
InChIKeyVOPYBBDDGWRMCN-XEQCUQEESA-N
MW139.20 g/mol
LogP1.96
Rot. Bonds3

About 4-[(Z)-prop-1-enyl]iminopentan-2-one

4-[(Z)-prop-1-enyl]iminopentan-2-one (PubChem CID 144630009) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]iminopentan-2-one.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]iminopentan-2-one
PubChem CID144630009
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-[(Z)-prop-1-enyl]iminopentan-2-one
SMILESC/C=C\N=C(/C)CC(C)=O
InChIInChI=1S/C8H13NO/c1-4-5-9-7(2)6-8(3)10/h4-5H,6H2,1-3H3/b5-4-,9-7+
InChIKeyVOPYBBDDGWRMCN-XEQCUQEESA-N
XLogP1.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202
barium(2+);pentane-2,4-dione
CID 23298949
N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
Lithium pentane-2,4-dione
CID 86735745
ethylidenechromium;pentane-2,4-dione
CID 175183732
methyl N-[(E)-prop-1-enyl]ethanimidate
CID 142215629
potassium pentane-2,4-dione
CID 19762724
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
CID 15855332
CID 15855332

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-prop-1-enyl]iminopentan-2-one?
The IUPAC name of 4-[(Z)-prop-1-enyl]iminopentan-2-one (CID 144630009) is 4-[(Z)-prop-1-enyl]iminopentan-2-one.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]iminopentan-2-one?
The canonical SMILES for 4-[(Z)-prop-1-enyl]iminopentan-2-one is C/C=C\N=C(/C)CC(C)=O.
What is the InChIKey of 4-[(Z)-prop-1-enyl]iminopentan-2-one?
The InChIKey is VOPYBBDDGWRMCN-XEQCUQEESA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-9-7(2)6-8(3)10/h4-5H,6H2,1-3H3/b5-4-,9-7+.
What are the key properties of 4-[(Z)-prop-1-enyl]iminopentan-2-one?
4-[(Z)-prop-1-enyl]iminopentan-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]iminopentan-2-one is sourced from PubChem (CID 144630009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).