3-propan-2-ylidenepyrrol-2-amine

C7H10N2 — CID 139366195

IUPAC3-propan-2-ylidenepyrrol-2-amine
SMILESCC(C)=C1C=CN=C1N
InChIInChI=1S/C7H10N2/c1-5(2)6-3-4-9-7(6)8/h3-4H,1-2H3,(H2,8,9)
InChIKeyWAEBYBKWPRHQCL-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.21
Rot. Bonds

About 3-propan-2-ylidenepyrrol-2-amine

3-propan-2-ylidenepyrrol-2-amine (PubChem CID 139366195) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-propan-2-ylidenepyrrol-2-amine.

Molecular Properties

Compound Name3-propan-2-ylidenepyrrol-2-amine
PubChem CID139366195
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-propan-2-ylidenepyrrol-2-amine
SMILESCC(C)=C1C=CN=C1N
InChIInChI=1S/C7H10N2/c1-5(2)6-3-4-9-7(6)8/h3-4H,1-2H3,(H2,8,9)
InChIKeyWAEBYBKWPRHQCL-UHFFFAOYSA-N
XLogP1.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

Analyze 3-propan-2-ylidenepyrrol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidenepyrrol-2-amine?
The IUPAC name of 3-propan-2-ylidenepyrrol-2-amine (CID 139366195) is 3-propan-2-ylidenepyrrol-2-amine.
What is the SMILES notation for 3-propan-2-ylidenepyrrol-2-amine?
The canonical SMILES for 3-propan-2-ylidenepyrrol-2-amine is CC(C)=C1C=CN=C1N.
What is the InChIKey of 3-propan-2-ylidenepyrrol-2-amine?
The InChIKey is WAEBYBKWPRHQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5(2)6-3-4-9-7(6)8/h3-4H,1-2H3,(H2,8,9).
What are the key properties of 3-propan-2-ylidenepyrrol-2-amine?
3-propan-2-ylidenepyrrol-2-amine has a molecular weight of 122.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidenepyrrol-2-amine is sourced from PubChem (CID 139366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).