2-prop-2-enyl-3H-pyrrol-4-amine

C7H10N2 — CID 171097266

IUPAC2-prop-2-enyl-3H-pyrrol-4-amine
SMILESC=CCC1=NC=C(N)C1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-6(8)5-9-7/h2,5H,1,3-4,8H2
InChIKeyZPISNOXAYHXLOI-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.21
Rot. Bonds2

About 2-prop-2-enyl-3H-pyrrol-4-amine

2-prop-2-enyl-3H-pyrrol-4-amine (PubChem CID 171097266) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-prop-2-enyl-3H-pyrrol-4-amine.

Molecular Properties

Compound Name2-prop-2-enyl-3H-pyrrol-4-amine
PubChem CID171097266
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name2-prop-2-enyl-3H-pyrrol-4-amine
SMILESC=CCC1=NC=C(N)C1
InChIInChI=1S/C7H10N2/c1-2-3-7-4-6(8)5-9-7/h2,5H,1,3-4,8H2
InChIKeyZPISNOXAYHXLOI-UHFFFAOYSA-N
XLogP1.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-prop-2-enyl-3H-pyrrol-4-amine?
The IUPAC name of 2-prop-2-enyl-3H-pyrrol-4-amine (CID 171097266) is 2-prop-2-enyl-3H-pyrrol-4-amine.
What is the SMILES notation for 2-prop-2-enyl-3H-pyrrol-4-amine?
The canonical SMILES for 2-prop-2-enyl-3H-pyrrol-4-amine is C=CCC1=NC=C(N)C1.
What is the InChIKey of 2-prop-2-enyl-3H-pyrrol-4-amine?
The InChIKey is ZPISNOXAYHXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-3-7-4-6(8)5-9-7/h2,5H,1,3-4,8H2.
What are the key properties of 2-prop-2-enyl-3H-pyrrol-4-amine?
2-prop-2-enyl-3H-pyrrol-4-amine has a molecular weight of 122.17 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-3H-pyrrol-4-amine is sourced from PubChem (CID 171097266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).