(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one

C10H20N2O — CID 102485435

IUPAC(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCCCN(C)C
InChIInChI=1S/C10H20N2O/c1-9(8-10(2)13)11-6-5-7-12(3)4/h8,11H,5-7H2,1-4H3/b9-8-
InChIKeyYPNWENBGPYMYPP-HJWRWDBZSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds6

About (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one

(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one (PubChem CID 102485435) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one
PubChem CID102485435
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCCCN(C)C
InChIInChI=1S/C10H20N2O/c1-9(8-10(2)13)11-6-5-7-12(3)4/h8,11H,5-7H2,1-4H3/b9-8-
InChIKeyYPNWENBGPYMYPP-HJWRWDBZSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one (CID 102485435) is (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one is CC(=O)/C=C(/C)NCCCN(C)C.
What is the InChIKey of (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one?
The InChIKey is YPNWENBGPYMYPP-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(8-10(2)13)11-6-5-7-12(3)4/h8,11H,5-7H2,1-4H3/b9-8-.
What are the key properties of (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one?
(Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-(dimethylamino)propylamino]pent-3-en-2-one is sourced from PubChem (CID 102485435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).