1-cyclopropyl-5-formylpyrrole-2-carbonitrile

C9H8N2O — CID 130366801

IUPAC1-cyclopropyl-5-formylpyrrole-2-carbonitrile
SMILESN#Cc1ccc(C=O)n1C1CC1
InChIInChI=1S/C9H8N2O/c10-5-8-3-4-9(6-12)11(8)7-1-2-7/h3-4,6-7H,1-2H2
InChIKeyHQVWYWNQPWOKSX-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.51
Rot. Bonds2

About 1-cyclopropyl-5-formylpyrrole-2-carbonitrile

1-cyclopropyl-5-formylpyrrole-2-carbonitrile (PubChem CID 130366801) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-cyclopropyl-5-formylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-5-formylpyrrole-2-carbonitrile
PubChem CID130366801
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-cyclopropyl-5-formylpyrrole-2-carbonitrile
SMILESN#Cc1ccc(C=O)n1C1CC1
InChIInChI=1S/C9H8N2O/c10-5-8-3-4-9(6-12)11(8)7-1-2-7/h3-4,6-7H,1-2H2
InChIKeyHQVWYWNQPWOKSX-UHFFFAOYSA-N
XLogP1.51
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-formylpyrrole-2-carbonitrile?
The IUPAC name of 1-cyclopropyl-5-formylpyrrole-2-carbonitrile (CID 130366801) is 1-cyclopropyl-5-formylpyrrole-2-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-5-formylpyrrole-2-carbonitrile?
The canonical SMILES for 1-cyclopropyl-5-formylpyrrole-2-carbonitrile is N#Cc1ccc(C=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-formylpyrrole-2-carbonitrile?
The InChIKey is HQVWYWNQPWOKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-5-8-3-4-9(6-12)11(8)7-1-2-7/h3-4,6-7H,1-2H2.
What are the key properties of 1-cyclopropyl-5-formylpyrrole-2-carbonitrile?
1-cyclopropyl-5-formylpyrrole-2-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-formylpyrrole-2-carbonitrile is sourced from PubChem (CID 130366801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).