(Z)-1-amino-4,4-dimethylpent-1-en-3-one

C7H13NO — CID 23278665

IUPAC(Z)-1-amino-4,4-dimethylpent-1-en-3-one
SMILESCC(C)(C)C(=O)/C=C\N
InChIInChI=1S/C7H13NO/c1-7(2,3)6(9)4-5-8/h4-5H,8H2,1-3H3/b5-4-
InChIKeyMRXNCIATCXLDCN-PLNGDYQASA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds1

About (Z)-1-amino-4,4-dimethylpent-1-en-3-one

(Z)-1-amino-4,4-dimethylpent-1-en-3-one (PubChem CID 23278665) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-1-amino-4,4-dimethylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-amino-4,4-dimethylpent-1-en-3-one
PubChem CID23278665
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-1-amino-4,4-dimethylpent-1-en-3-one
SMILESCC(C)(C)C(=O)/C=C\N
InChIInChI=1S/C7H13NO/c1-7(2,3)6(9)4-5-8/h4-5H,8H2,1-3H3/b5-4-
InChIKeyMRXNCIATCXLDCN-PLNGDYQASA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of (Z)-1-amino-4,4-dimethylpent-1-en-3-one?
The IUPAC name of (Z)-1-amino-4,4-dimethylpent-1-en-3-one (CID 23278665) is (Z)-1-amino-4,4-dimethylpent-1-en-3-one.
What is the SMILES notation for (Z)-1-amino-4,4-dimethylpent-1-en-3-one?
The canonical SMILES for (Z)-1-amino-4,4-dimethylpent-1-en-3-one is CC(C)(C)C(=O)/C=C\N.
What is the InChIKey of (Z)-1-amino-4,4-dimethylpent-1-en-3-one?
The InChIKey is MRXNCIATCXLDCN-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13NO/c1-7(2,3)6(9)4-5-8/h4-5H,8H2,1-3H3/b5-4-.
What are the key properties of (Z)-1-amino-4,4-dimethylpent-1-en-3-one?
(Z)-1-amino-4,4-dimethylpent-1-en-3-one has a molecular weight of 127.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-amino-4,4-dimethylpent-1-en-3-one is sourced from PubChem (CID 23278665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).