1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide

C15H16N2O — CID 86768199

IUPAC1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H16N2O/c1-17-9-5-8-14(17)15(18)16-13-10-12(13)11-6-3-2-4-7-11/h2-9,12-13H,10H2,1H3,(H,16,18)
InChIKeyZWVWZXPQMQQUBT-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.31
Rot. Bonds3

About 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide

1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide (PubChem CID 86768199) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
PubChem CID86768199
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CC1c1ccccc1
InChIInChI=1S/C15H16N2O/c1-17-9-5-8-14(17)15(18)16-13-10-12(13)11-6-3-2-4-7-11/h2-9,12-13H,10H2,1H3,(H,16,18)
InChIKeyZWVWZXPQMQQUBT-UHFFFAOYSA-N
XLogP2.31
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide (CID 86768199) is 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CC1c1ccccc1.
What is the InChIKey of 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide?
The InChIKey is ZWVWZXPQMQQUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-17-9-5-8-14(17)15(18)16-13-10-12(13)11-6-3-2-4-7-11/h2-9,12-13H,10H2,1H3,(H,16,18).
What are the key properties of 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide?
1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 86768199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).