(Z)-4,5-diamino-2-methylhex-4-en-3-one

C7H14N2O — CID 163437311

IUPAC(Z)-4,5-diamino-2-methylhex-4-en-3-one
SMILESC/C(N)=C(/N)C(=O)C(C)C
InChIInChI=1S/C7H14N2O/c1-4(2)7(10)6(9)5(3)8/h4H,8-9H2,1-3H3/b6-5-
InChIKeyAVPHAIISDTZINI-WAYWQWQTSA-N
MW142.20 g/mol
LogP0.36
Rot. Bonds2

About (Z)-4,5-diamino-2-methylhex-4-en-3-one

(Z)-4,5-diamino-2-methylhex-4-en-3-one (PubChem CID 163437311) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (Z)-4,5-diamino-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-4,5-diamino-2-methylhex-4-en-3-one
PubChem CID163437311
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(Z)-4,5-diamino-2-methylhex-4-en-3-one
SMILESC/C(N)=C(/N)C(=O)C(C)C
InChIInChI=1S/C7H14N2O/c1-4(2)7(10)6(9)5(3)8/h4H,8-9H2,1-3H3/b6-5-
InChIKeyAVPHAIISDTZINI-WAYWQWQTSA-N
XLogP0.36
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,5-diamino-2-methylhex-4-en-3-one?
The IUPAC name of (Z)-4,5-diamino-2-methylhex-4-en-3-one (CID 163437311) is (Z)-4,5-diamino-2-methylhex-4-en-3-one.
What is the SMILES notation for (Z)-4,5-diamino-2-methylhex-4-en-3-one?
The canonical SMILES for (Z)-4,5-diamino-2-methylhex-4-en-3-one is C/C(N)=C(/N)C(=O)C(C)C.
What is the InChIKey of (Z)-4,5-diamino-2-methylhex-4-en-3-one?
The InChIKey is AVPHAIISDTZINI-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4(2)7(10)6(9)5(3)8/h4H,8-9H2,1-3H3/b6-5-.
What are the key properties of (Z)-4,5-diamino-2-methylhex-4-en-3-one?
(Z)-4,5-diamino-2-methylhex-4-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,5-diamino-2-methylhex-4-en-3-one is sourced from PubChem (CID 163437311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).