3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide

C10H13N3O2 — CID 155190861

IUPAC3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1ccc(C(=O)CN)c1C(N)=O
InChIInChI=1S/C10H13N3O2/c1-2-4-13-5-3-7(8(14)6-11)9(13)10(12)15/h2-3,5H,1,4,6,11H2,(H2,12,15)
InChIKeyQCPVVKYUUOJAQH-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.09
Rot. Bonds5

About 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide

3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide (PubChem CID 155190861) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide
PubChem CID155190861
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1ccc(C(=O)CN)c1C(N)=O
InChIInChI=1S/C10H13N3O2/c1-2-4-13-5-3-7(8(14)6-11)9(13)10(12)15/h2-3,5H,1,4,6,11H2,(H2,12,15)
InChIKeyQCPVVKYUUOJAQH-UHFFFAOYSA-N
XLogP-0.09
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide (CID 155190861) is 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide is C=CCn1ccc(C(=O)CN)c1C(N)=O.
What is the InChIKey of 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is QCPVVKYUUOJAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-2-4-13-5-3-7(8(14)6-11)9(13)10(12)15/h2-3,5H,1,4,6,11H2,(H2,12,15).
What are the key properties of 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide?
3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 207.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoacetyl)-1-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 155190861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).