1-propan-2-yl-3H-pyrrol-2-imine

C7H12N2 — CID 157059940

IUPAC1-propan-2-yl-3H-pyrrol-2-imine
SMILES[H]/N=C1\CC=CN1C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-3-4-7(9)8/h3,5-6,8H,4H2,1-2H3/b8-7+
InChIKeyCKAFGWOPYKVLKE-BQYQJAHWSA-N
MW124.19 g/mol
LogP1.59
Rot. Bonds1

About 1-propan-2-yl-3H-pyrrol-2-imine

1-propan-2-yl-3H-pyrrol-2-imine (PubChem CID 157059940) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-propan-2-yl-3H-pyrrol-2-imine.

Molecular Properties

Compound Name1-propan-2-yl-3H-pyrrol-2-imine
PubChem CID157059940
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-propan-2-yl-3H-pyrrol-2-imine
SMILES[H]/N=C1\CC=CN1C(C)C
InChIInChI=1S/C7H12N2/c1-6(2)9-5-3-4-7(9)8/h3,5-6,8H,4H2,1-2H3/b8-7+
InChIKeyCKAFGWOPYKVLKE-BQYQJAHWSA-N
XLogP1.59
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3H-pyrrol-2-imine?
The IUPAC name of 1-propan-2-yl-3H-pyrrol-2-imine (CID 157059940) is 1-propan-2-yl-3H-pyrrol-2-imine.
What is the SMILES notation for 1-propan-2-yl-3H-pyrrol-2-imine?
The canonical SMILES for 1-propan-2-yl-3H-pyrrol-2-imine is [H]/N=C1\CC=CN1C(C)C.
What is the InChIKey of 1-propan-2-yl-3H-pyrrol-2-imine?
The InChIKey is CKAFGWOPYKVLKE-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-5-3-4-7(9)8/h3,5-6,8H,4H2,1-2H3/b8-7+.
What are the key properties of 1-propan-2-yl-3H-pyrrol-2-imine?
1-propan-2-yl-3H-pyrrol-2-imine has a molecular weight of 124.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3H-pyrrol-2-imine is sourced from PubChem (CID 157059940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).