(Z)-4-amino-5,5-dimethylhex-3-en-2-one

C8H15NO — CID 15421497

IUPAC(Z)-4-amino-5,5-dimethylhex-3-en-2-one
SMILESCC(=O)/C=C(\N)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-6(10)5-7(9)8(2,3)4/h5H,9H2,1-4H3/b7-5-
InChIKeyRCJJESAETQWDJM-ALCCZGGFSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds1

About (Z)-4-amino-5,5-dimethylhex-3-en-2-one

(Z)-4-amino-5,5-dimethylhex-3-en-2-one (PubChem CID 15421497) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (Z)-4-amino-5,5-dimethylhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-amino-5,5-dimethylhex-3-en-2-one
PubChem CID15421497
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(Z)-4-amino-5,5-dimethylhex-3-en-2-one
SMILESCC(=O)/C=C(\N)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-6(10)5-7(9)8(2,3)4/h5H,9H2,1-4H3/b7-5-
InChIKeyRCJJESAETQWDJM-ALCCZGGFSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,4-dimethylpent-2-enamide
CID 143267378
N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide
CID 171645597
tetrakis((Z)-4-hydroxypent-3-en-2-one);bis(2-methylpropan-2-amine);nickel
CID 11490766
tris(4-amino-4-hydroxybut-3-en-2-one);iron
CID 147271636
4-(dimethylamino)-5,5-dimethylhex-3-en-2-one
CID 23268138
(E)-2-amino-4-oxopent-2-enoic acid
CID 45085327
5-hydroxy-4,5-dimethylhex-3-en-2-one
CID 91550756
4-amino-4-methylsulfanylbut-3-en-2-one
CID 2843838
(E)-5-fluoro-4,5-dimethylhex-3-en-2-one
CID 12601610
4-aminohex-3-en-2-one
CID 57357968
acetyl chloride;2,2-dimethylpropanamide
CID 157270629
[(Z)-4-oxopent-2-en-2-yl]urea
CID 13320940

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-5,5-dimethylhex-3-en-2-one?
The IUPAC name of (Z)-4-amino-5,5-dimethylhex-3-en-2-one (CID 15421497) is (Z)-4-amino-5,5-dimethylhex-3-en-2-one.
What is the SMILES notation for (Z)-4-amino-5,5-dimethylhex-3-en-2-one?
The canonical SMILES for (Z)-4-amino-5,5-dimethylhex-3-en-2-one is CC(=O)/C=C(\N)C(C)(C)C.
What is the InChIKey of (Z)-4-amino-5,5-dimethylhex-3-en-2-one?
The InChIKey is RCJJESAETQWDJM-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(10)5-7(9)8(2,3)4/h5H,9H2,1-4H3/b7-5-.
What are the key properties of (Z)-4-amino-5,5-dimethylhex-3-en-2-one?
(Z)-4-amino-5,5-dimethylhex-3-en-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-5,5-dimethylhex-3-en-2-one is sourced from PubChem (CID 15421497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).