1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole

C15H17N — CID 130382198

IUPAC1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole
SMILESCc1ccc(-c2ccccc2)n1CC1CC1
InChIInChI=1S/C15H17N/c1-12-7-10-15(14-5-3-2-4-6-14)16(12)11-13-8-9-13/h2-7,10,13H,8-9,11H2,1H3
InChIKeyJUACAWALGTUKIE-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.87
Rot. Bonds3

About 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole

1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole (PubChem CID 130382198) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole
PubChem CID130382198
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole
SMILESCc1ccc(-c2ccccc2)n1CC1CC1
InChIInChI=1S/C15H17N/c1-12-7-10-15(14-5-3-2-4-6-14)16(12)11-13-8-9-13/h2-7,10,13H,8-9,11H2,1H3
InChIKeyJUACAWALGTUKIE-UHFFFAOYSA-N
XLogP3.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole?
The IUPAC name of 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole (CID 130382198) is 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole is Cc1ccc(-c2ccccc2)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole?
The InChIKey is JUACAWALGTUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12-7-10-15(14-5-3-2-4-6-14)16(12)11-13-8-9-13/h2-7,10,13H,8-9,11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole?
1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole has a molecular weight of 211.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole is sourced from PubChem (CID 130382198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).