formamide;piperazine;prop-2-enoic acid

C8H17N3O3 — CID 175053391

IUPACformamide;piperazine;prop-2-enoic acid
SMILESC1CNCCN1.C=CC(=O)O.NC=O
InChIInChI=1S/C4H10N2.C3H4O2.CH3NO/c1-2-6-4-3-5-1;1-2-3(4)5;2-1-3/h5-6H,1-4H2;2H,1H2,(H,4,5);1H,(H2,2,3)
InChIKeyFDBVKIGWMFXYKE-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.46
Rot. Bonds1

About formamide;piperazine;prop-2-enoic acid

formamide;piperazine;prop-2-enoic acid (PubChem CID 175053391) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is formamide;piperazine;prop-2-enoic acid.

Molecular Properties

Compound Nameformamide;piperazine;prop-2-enoic acid
PubChem CID175053391
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Nameformamide;piperazine;prop-2-enoic acid
SMILESC1CNCCN1.C=CC(=O)O.NC=O
InChIInChI=1S/C4H10N2.C3H4O2.CH3NO/c1-2-6-4-3-5-1;1-2-3(4)5;2-1-3/h5-6H,1-4H2;2H,1H2,(H,4,5);1H,(H2,2,3)
InChIKeyFDBVKIGWMFXYKE-UHFFFAOYSA-N
XLogP-1.46
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formamide;prop-2-enoic acid
CID 23373282
prop-2-enoic acid;pyrrolidine
CID 159655910
piperazine;prop-2-enamide
CID 18915240
tris(prop-2-enoic acid);1,3,5-triazinane
CID 174985722
calcium;prop-2-enoic acid;dichloride
CID 172857747
hydrazine;bis(prop-2-enoic acid)
CID 160974981
sodium;ethenamine;hydride;prop-2-enoic acid
CID 173340453
but-2-enedioic acid;piperazine
CID 173189024
formic acid;bis(prop-2-enoic acid)
CID 88502966
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;pentahydrobromide
CID 172798031
prop-2-enoic acid;hydrochloride
CID 22354205

Frequently Asked Questions

What is the IUPAC name of formamide;piperazine;prop-2-enoic acid?
The IUPAC name of formamide;piperazine;prop-2-enoic acid (CID 175053391) is formamide;piperazine;prop-2-enoic acid.
What is the SMILES notation for formamide;piperazine;prop-2-enoic acid?
The canonical SMILES for formamide;piperazine;prop-2-enoic acid is C1CNCCN1.C=CC(=O)O.NC=O.
What is the InChIKey of formamide;piperazine;prop-2-enoic acid?
The InChIKey is FDBVKIGWMFXYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H4O2.CH3NO/c1-2-6-4-3-5-1;1-2-3(4)5;2-1-3/h5-6H,1-4H2;2H,1H2,(H,4,5);1H,(H2,2,3).
What are the key properties of formamide;piperazine;prop-2-enoic acid?
formamide;piperazine;prop-2-enoic acid has a molecular weight of 203.24 g/mol, XLogP of -1.46, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;piperazine;prop-2-enoic acid is sourced from PubChem (CID 175053391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).