3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one

C9H13NO — CID 143284584

IUPAC3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one
SMILESC=CC(/C=N/C=C\C)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-10-7-9(5-2)8(3)11/h4-7,9H,2H2,1,3H3/b6-4-,10-7+
InChIKeyIKACHATYOWYHDW-BSAFSDHNSA-N
MW151.21 g/mol
LogP1.98
Rot. Bonds4

About 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one

3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one (PubChem CID 143284584) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one.

Molecular Properties

Compound Name3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one
PubChem CID143284584
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one
SMILESC=CC(/C=N/C=C\C)C(C)=O
InChIInChI=1S/C9H13NO/c1-4-6-10-7-9(5-2)8(3)11/h4-7,9H,2H2,1,3H3/b6-4-,10-7+
InChIKeyIKACHATYOWYHDW-BSAFSDHNSA-N
XLogP1.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 142072925
4-hydroxy-3-methylhex-5-en-2-one
CID 18338976
1,1-dihydroxypropan-2-one;prop-2-enoic acid
CID 159954546
acetic acid;octa-1,6-dien-3-ol
CID 161210848
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
3-propan-2-ylpent-4-en-2-one
CID 87502866
3-ethenyl-2-methylpenta-1,4-diene;yttrium
CID 158513176
3-ethenylhex-5-en-2-one
CID 529432
(2E)-2-ethylidene-N-[(Z)-prop-1-enyl]pent-4-en-1-imine
CID 143654384
(E)-3-ethenyl-4,4-dimethyloct-6-en-2-one
CID 88713054
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
2,3-dihydroxybutanedioic acid;prop-1-ene
CID 172844787

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one?
The IUPAC name of 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one (CID 143284584) is 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one.
What is the SMILES notation for 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one?
The canonical SMILES for 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one is C=CC(/C=N/C=C\C)C(C)=O.
What is the InChIKey of 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one?
The InChIKey is IKACHATYOWYHDW-BSAFSDHNSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-6-10-7-9(5-2)8(3)11/h4-7,9H,2H2,1,3H3/b6-4-,10-7+.
What are the key properties of 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one?
3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one is sourced from PubChem (CID 143284584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).