(Z)-hex-3-ene-2,5-dione;methanamine

C7H13NO2 — CID 54388275

IUPAC(Z)-hex-3-ene-2,5-dione;methanamine
SMILESCC(=O)/C=C\C(C)=O.CN
InChIInChI=1S/C6H8O2.CH5N/c1-5(7)3-4-6(2)8;1-2/h3-4H,1-2H3;2H2,1H3/b4-3-;
InChIKeyVEUUQMRIMWOYBK-LNKPDPKZSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About (Z)-hex-3-ene-2,5-dione;methanamine

(Z)-hex-3-ene-2,5-dione;methanamine (PubChem CID 54388275) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (Z)-hex-3-ene-2,5-dione;methanamine.

Molecular Properties

Compound Name(Z)-hex-3-ene-2,5-dione;methanamine
PubChem CID54388275
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(Z)-hex-3-ene-2,5-dione;methanamine
SMILESCC(=O)/C=C\C(C)=O.CN
InChIInChI=1S/C6H8O2.CH5N/c1-5(7)3-4-6(2)8;1-2/h3-4H,1-2H3;2H2,1H3/b4-3-;
InChIKeyVEUUQMRIMWOYBK-LNKPDPKZSA-N
XLogP0.30
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetylallylamin
CID 57281175
Amino-3penten-2-one
CID 57282710
Aminohexenone
CID 129803355
(E)-1-aminopent-3-en-2-one
CID 21475702
1-Aminohex-3-en-2-one
CID 88673018
(E)-6-aminohex-3-en-2-one
CID 118271956
(Z)-1-aminopent-3-en-2-one;ethane
CID 143495153
(E)-5-aminopent-3-en-2-one;ethane
CID 144571831
(3E)-5-aminopent-3-en-2-one
CID 144571832
(Z)-5-aminopent-3-en-2-one
CID 148418262
Cyclohexa-2,5-diene-1,4-dione;ethanamine
CID 156272940
Cyclohexa-2,5-diene-1,4-dione;methanamine
CID 160145727

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-ene-2,5-dione;methanamine?
The IUPAC name of (Z)-hex-3-ene-2,5-dione;methanamine (CID 54388275) is (Z)-hex-3-ene-2,5-dione;methanamine.
What is the SMILES notation for (Z)-hex-3-ene-2,5-dione;methanamine?
The canonical SMILES for (Z)-hex-3-ene-2,5-dione;methanamine is CC(=O)/C=C\C(C)=O.CN.
What is the InChIKey of (Z)-hex-3-ene-2,5-dione;methanamine?
The InChIKey is VEUUQMRIMWOYBK-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H8O2.CH5N/c1-5(7)3-4-6(2)8;1-2/h3-4H,1-2H3;2H2,1H3/b4-3-;.
What are the key properties of (Z)-hex-3-ene-2,5-dione;methanamine?
(Z)-hex-3-ene-2,5-dione;methanamine has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-ene-2,5-dione;methanamine is sourced from PubChem (CID 54388275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).