(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone

C19H20N2O — CID 175322800

IUPAC(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H20N2O/c22-19(17-8-10-20-13-17)21-11-9-15-6-7-16(12-18(15)21)14-4-2-1-3-5-14/h1-7,12,17,20H,8-11,13H2
InChIKeyVTQGWXHRZNQAKK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.85
Rot. Bonds2

About (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone

(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone (PubChem CID 175322800) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
PubChem CID175322800
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C19H20N2O/c22-19(17-8-10-20-13-17)21-11-9-15-6-7-16(12-18(15)21)14-4-2-1-3-5-14/h1-7,12,17,20H,8-11,13H2
InChIKeyVTQGWXHRZNQAKK-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 130345290
(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 174921124
(5-bromo-2,3-dihydroindol-1-yl)-piperidin-3-ylmethanone
CID 119280350
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 63007267
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119889173
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119891426
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119777889
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373

Frequently Asked Questions

What is the IUPAC name of (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone (CID 175322800) is (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCc2ccc(-c3ccccc3)cc21.
What is the InChIKey of (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is VTQGWXHRZNQAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(17-8-10-20-13-17)21-11-9-15-6-7-16(12-18(15)21)14-4-2-1-3-5-14/h1-7,12,17,20H,8-11,13H2.
What are the key properties of (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone?
(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 175322800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).