[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone

C26H23NO — CID 164685207

IUPAC[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
SMILESO=C(C1=C(c2ccccc2)N(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C26H23NO/c28-26(21-14-8-3-9-15-21)23-18-24(19-10-4-1-5-11-19)27(22-16-17-22)25(23)20-12-6-2-7-13-20/h1-15,22,24H,16-18H2/t24-/m1/s1
InChIKeyZMZAOXAFCINBSM-XMMPIXPASA-N
MW365.48 g/mol
LogP5.89
Rot. Bonds5

About [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone

[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone (PubChem CID 164685207) has the molecular formula C26H23NO and a molecular weight of 365.48 g/mol. Its IUPAC name is [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
PubChem CID164685207
Molecular FormulaC26H23NO
Molecular Weight365.48 g/mol
Exact Mass365.18
IUPAC Name[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone
SMILESO=C(C1=C(c2ccccc2)N(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C26H23NO/c28-26(21-14-8-3-9-15-21)23-18-24(19-10-4-1-5-11-19)27(22-16-17-22)25(23)20-12-6-2-7-13-20/h1-15,22,24H,16-18H2/t24-/m1/s1
InChIKeyZMZAOXAFCINBSM-XMMPIXPASA-N
XLogP5.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
The IUPAC name of [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone (CID 164685207) is [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone.
What is the SMILES notation for [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
The canonical SMILES for [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone is O=C(C1=C(c2ccccc2)N(C2CC2)[C@@H](c2ccccc2)C1)c1ccccc1.
What is the InChIKey of [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
The InChIKey is ZMZAOXAFCINBSM-XMMPIXPASA-N. The full InChI is InChI=1S/C26H23NO/c28-26(21-14-8-3-9-15-21)23-18-24(19-10-4-1-5-11-19)27(22-16-17-22)25(23)20-12-6-2-7-13-20/h1-15,22,24H,16-18H2/t24-/m1/s1.
What are the key properties of [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone?
[(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone has a molecular weight of 365.48 g/mol, XLogP of 5.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-cyclopropyl-2,5-diphenyl-2,3-dihydropyrrol-4-yl]-phenylmethanone is sourced from PubChem (CID 164685207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).