(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one

C12H20N2O2 — CID 5462863

IUPAC(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCCN/C(C)=C\C(C)=O
InChIInChI=1S/C12H20N2O2/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16/h7-8,13-14H,5-6H2,1-4H3/b9-7-,10-8-
InChIKeyJBPDKWSODLKWPV-XOHWUJONSA-N
MW224.30 g/mol
LogP1.15
Rot. Bonds7

About (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one

(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one (PubChem CID 5462863) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
PubChem CID5462863
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)NCCN/C(C)=C\C(C)=O
InChIInChI=1S/C12H20N2O2/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16/h7-8,13-14H,5-6H2,1-4H3/b9-7-,10-8-
InChIKeyJBPDKWSODLKWPV-XOHWUJONSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one?
The IUPAC name of (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one (CID 5462863) is (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one is CC(=O)/C=C(/C)NCCN/C(C)=C\C(C)=O.
What is the InChIKey of (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one?
The InChIKey is JBPDKWSODLKWPV-XOHWUJONSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16/h7-8,13-14H,5-6H2,1-4H3/b9-7-,10-8-.
What are the key properties of (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one?
(Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[[(Z)-4-oxopent-2-en-2-yl]amino]ethylamino]pent-3-en-2-one is sourced from PubChem (CID 5462863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).