(Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one

C10H19NO — CID 172623590

IUPAC(Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one
SMILESC/C=C(/CN(C)C)C(=O)C(C)C
InChIInChI=1S/C10H19NO/c1-6-9(7-11(4)5)10(12)8(2)3/h6,8H,7H2,1-5H3/b9-6-
InChIKeyYZYQZAQEUPBOCA-TWGQIWQCSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

About (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one

(Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one (PubChem CID 172623590) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one
PubChem CID172623590
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one
SMILESC/C=C(/CN(C)C)C(=O)C(C)C
InChIInChI=1S/C10H19NO/c1-6-9(7-11(4)5)10(12)8(2)3/h6,8H,7H2,1-5H3/b9-6-
InChIKeyYZYQZAQEUPBOCA-TWGQIWQCSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(dimethylamino)methyl]-2-methylhex-4-en-3-one?
The IUPAC name of (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one (CID 172623590) is (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one.
What is the SMILES notation for (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one?
The canonical SMILES for (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one is C/C=C(/CN(C)C)C(=O)C(C)C.
What is the InChIKey of (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one?
The InChIKey is YZYQZAQEUPBOCA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-9(7-11(4)5)10(12)8(2)3/h6,8H,7H2,1-5H3/b9-6-.
What are the key properties of (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one?
(Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(dimethylamino)methyl]-2-methylhex-4-en-3-one is sourced from PubChem (CID 172623590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).