1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione

C10H15ClN2O2 — CID 103065832

IUPAC1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione
SMILESC=C(CCl)CN1CC(=O)N(CC)CC1=O
InChIInChI=1S/C10H15ClN2O2/c1-3-12-6-10(15)13(7-9(12)14)5-8(2)4-11/h2-7H2,1H3
InChIKeyQKFBOBYJBUOPPG-UHFFFAOYSA-N
MW230.69 g/mol
LogP0.47
Rot. Bonds4

About 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione

1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione (PubChem CID 103065832) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione
PubChem CID103065832
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione
SMILESC=C(CCl)CN1CC(=O)N(CC)CC1=O
InChIInChI=1S/C10H15ClN2O2/c1-3-12-6-10(15)13(7-9(12)14)5-8(2)4-11/h2-7H2,1H3
InChIKeyQKFBOBYJBUOPPG-UHFFFAOYSA-N
XLogP0.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione (CID 103065832) is 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione is C=C(CCl)CN1CC(=O)N(CC)CC1=O.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione?
The InChIKey is QKFBOBYJBUOPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-3-12-6-10(15)13(7-9(12)14)5-8(2)4-11/h2-7H2,1H3.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione?
1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione has a molecular weight of 230.69 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]-4-ethylpiperazine-2,5-dione is sourced from PubChem (CID 103065832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).