(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one

C7H14N2O2 — CID 126475998

IUPAC(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one
SMILESCC(=O)/C(CCN(C)C)=N\O
InChIInChI=1S/C7H14N2O2/c1-6(10)7(8-11)4-5-9(2)3/h11H,4-5H2,1-3H3/b8-7-
InChIKeyGRSCKWGZICWXLY-FPLPWBNLSA-N
MW158.20 g/mol
LogP0.36
Rot. Bonds4

About (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one

(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one (PubChem CID 126475998) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one.

Molecular Properties

Compound Name(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one
PubChem CID126475998
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one
SMILESCC(=O)/C(CCN(C)C)=N\O
InChIInChI=1S/C7H14N2O2/c1-6(10)7(8-11)4-5-9(2)3/h11H,4-5H2,1-3H3/b8-7-
InChIKeyGRSCKWGZICWXLY-FPLPWBNLSA-N
XLogP0.36
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one?
The IUPAC name of (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one (CID 126475998) is (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one.
What is the SMILES notation for (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one?
The canonical SMILES for (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one is CC(=O)/C(CCN(C)C)=N\O.
What is the InChIKey of (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one?
The InChIKey is GRSCKWGZICWXLY-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(10)7(8-11)4-5-9(2)3/h11H,4-5H2,1-3H3/b8-7-.
What are the key properties of (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one?
(3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one has a molecular weight of 158.20 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(dimethylamino)-3-hydroxyiminopentan-2-one is sourced from PubChem (CID 126475998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).