4-prop-2-enoylpiperazine-1-carbaldehyde

C8H12N2O2 — CID 23034692

IUPAC4-prop-2-enoylpiperazine-1-carbaldehyde
SMILESC=CC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C8H12N2O2/c1-2-8(12)10-5-3-9(7-11)4-6-10/h2,7H,1,3-6H2
InChIKeyIFWNPRYWWQXYKY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.53
Rot. Bonds2

About 4-prop-2-enoylpiperazine-1-carbaldehyde

4-prop-2-enoylpiperazine-1-carbaldehyde (PubChem CID 23034692) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-prop-2-enoylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-prop-2-enoylpiperazine-1-carbaldehyde
PubChem CID23034692
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-prop-2-enoylpiperazine-1-carbaldehyde
SMILESC=CC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C8H12N2O2/c1-2-8(12)10-5-3-9(7-11)4-6-10/h2,7H,1,3-6H2
InChIKeyIFWNPRYWWQXYKY-UHFFFAOYSA-N
XLogP-0.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoylpiperazine-1-carbaldehyde?
The IUPAC name of 4-prop-2-enoylpiperazine-1-carbaldehyde (CID 23034692) is 4-prop-2-enoylpiperazine-1-carbaldehyde.
What is the SMILES notation for 4-prop-2-enoylpiperazine-1-carbaldehyde?
The canonical SMILES for 4-prop-2-enoylpiperazine-1-carbaldehyde is C=CC(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-prop-2-enoylpiperazine-1-carbaldehyde?
The InChIKey is IFWNPRYWWQXYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-8(12)10-5-3-9(7-11)4-6-10/h2,7H,1,3-6H2.
What are the key properties of 4-prop-2-enoylpiperazine-1-carbaldehyde?
4-prop-2-enoylpiperazine-1-carbaldehyde has a molecular weight of 168.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoylpiperazine-1-carbaldehyde is sourced from PubChem (CID 23034692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).