(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C19H18N2O2 — CID 129398640

IUPAC(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)N1
InChIInChI=1S/C19H18N2O2/c22-18-10-9-16(20-18)19(23)21-12-11-15-14(7-4-8-17(15)21)13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,22)/t16-/m0/s1
InChIKeyMDCJZYZKPKXTBN-INIZCTEOSA-N
MW306.37 g/mol
LogP2.52
Rot. Bonds2

About (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 129398640) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID129398640
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)N1
InChIInChI=1S/C19H18N2O2/c22-18-10-9-16(20-18)19(23)21-12-11-15-14(7-4-8-17(15)21)13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,22)/t16-/m0/s1
InChIKeyMDCJZYZKPKXTBN-INIZCTEOSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 129398640) is (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCc3c(-c4ccccc4)cccc32)N1.
What is the InChIKey of (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is MDCJZYZKPKXTBN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-10-9-16(20-18)19(23)21-12-11-15-14(7-4-8-17(15)21)13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,22)/t16-/m0/s1.
What are the key properties of (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 129398640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).