(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione

C14H22N2O2 — CID 58443737

IUPAC(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=c1/c(=O)n(C)/c(=C/C(C)C)c(=O)n1C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-11-13(17)16(6)12(8-10(3)4)14(18)15(11)5/h7-10H,1-6H3/b11-7-,12-8+
InChIKeyOJSKSORHYZMKAH-NTLHZVPKSA-N
MW250.34 g/mol
LogP-0.04
Rot. Bonds2

About (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione

(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 58443737) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione
PubChem CID58443737
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=c1/c(=O)n(C)/c(=C/C(C)C)c(=O)n1C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-11-13(17)16(6)12(8-10(3)4)14(18)15(11)5/h7-10H,1-6H3/b11-7-,12-8+
InChIKeyOJSKSORHYZMKAH-NTLHZVPKSA-N
XLogP-0.04
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione (CID 58443737) is (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione is CC(C)/C=c1/c(=O)n(C)/c(=C/C(C)C)c(=O)n1C.
What is the InChIKey of (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is OJSKSORHYZMKAH-NTLHZVPKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)7-11-13(17)16(6)12(8-10(3)4)14(18)15(11)5/h7-10H,1-6H3/b11-7-,12-8+.
What are the key properties of (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione?
(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 58443737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).