bis(prop-2-enyl)carbamic acid;piperazine

C11H21N3O2 — CID 67613409

IUPACbis(prop-2-enyl)carbamic acid;piperazine
SMILESC1CNCCN1.C=CCN(CC=C)C(=O)O
InChIInChI=1S/C7H11NO2.C4H10N2/c1-3-5-8(6-4-2)7(9)10;1-2-6-4-3-5-1/h3-4H,1-2,5-6H2,(H,9,10);5-6H,1-4H2
InChIKeyYTLYXMCBSGQUAN-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.52
Rot. Bonds4

About bis(prop-2-enyl)carbamic acid;piperazine

bis(prop-2-enyl)carbamic acid;piperazine (PubChem CID 67613409) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is bis(prop-2-enyl)carbamic acid;piperazine.

Molecular Properties

Compound Namebis(prop-2-enyl)carbamic acid;piperazine
PubChem CID67613409
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namebis(prop-2-enyl)carbamic acid;piperazine
SMILESC1CNCCN1.C=CCN(CC=C)C(=O)O
InChIInChI=1S/C7H11NO2.C4H10N2/c1-3-5-8(6-4-2)7(9)10;1-2-6-4-3-5-1/h3-4H,1-2,5-6H2,(H,9,10);5-6H,1-4H2
InChIKeyYTLYXMCBSGQUAN-UHFFFAOYSA-N
XLogP0.52
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)carbamic acid;piperazine?
The IUPAC name of bis(prop-2-enyl)carbamic acid;piperazine (CID 67613409) is bis(prop-2-enyl)carbamic acid;piperazine.
What is the SMILES notation for bis(prop-2-enyl)carbamic acid;piperazine?
The canonical SMILES for bis(prop-2-enyl)carbamic acid;piperazine is C1CNCCN1.C=CCN(CC=C)C(=O)O.
What is the InChIKey of bis(prop-2-enyl)carbamic acid;piperazine?
The InChIKey is YTLYXMCBSGQUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C4H10N2/c1-3-5-8(6-4-2)7(9)10;1-2-6-4-3-5-1/h3-4H,1-2,5-6H2,(H,9,10);5-6H,1-4H2.
What are the key properties of bis(prop-2-enyl)carbamic acid;piperazine?
bis(prop-2-enyl)carbamic acid;piperazine has a molecular weight of 227.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)carbamic acid;piperazine is sourced from PubChem (CID 67613409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).