(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one

C19H19N3O — CID 26365907

IUPAC(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1N1CCCC1
InChIInChI=1S/C19H19N3O/c23-19-18(22-12-6-7-13-22)17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-19/h1-5,8-11,18H,6-7,12-13H2,(H,21,23)/t18-/m1/s1
InChIKeyIIJMEQVIGHCPQO-GOSISDBHSA-N
MW305.38 g/mol
LogP3.22
Rot. Bonds2

About (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one

(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 26365907) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID26365907
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1N1CCCC1
InChIInChI=1S/C19H19N3O/c23-19-18(22-12-6-7-13-22)17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-19/h1-5,8-11,18H,6-7,12-13H2,(H,21,23)/t18-/m1/s1
InChIKeyIIJMEQVIGHCPQO-GOSISDBHSA-N
XLogP3.22
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 7689392
2-oxo-4-phenyl-1,3-dihydro-1,5-benzodiazepine-3-carbaldehyde
CID 13199476
3-[(5-amino-1H-imidazol-2-yl)sulfanyl]-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 139235275
3-bromo-4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 6425507
(5R)-2-ethyl-6-phenyl-5-piperidin-1-yl-4,5-dihydro-1,2,4-triazin-3-one
CID 7331409
(3R)-1-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]piperidine-3-carboxylic acid
CID 129427540
3-(3-oxopiperidin-1-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313630
4-phenyl-3,10-dihydrofuro[3,4-b][1,5]benzodiazepin-1-one
CID 15141750
4-phenyl-1,2,3,10-tetrahydrocyclopenta[b][1,5]benzodiazepine
CID 36690291
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-11H-benzo[b][1,4]benzodiazepine
CID 13357153
(4R,8aS)-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
CID 57397356
3-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139008585

Frequently Asked Questions

What is the IUPAC name of (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 26365907) is (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1Nc2ccccc2N=C(c2ccccc2)[C@H]1N1CCCC1.
What is the InChIKey of (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is IIJMEQVIGHCPQO-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19-18(22-12-6-7-13-22)17(14-8-2-1-3-9-14)20-15-10-4-5-11-16(15)21-19/h1-5,8-11,18H,6-7,12-13H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one?
(3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-phenyl-3-pyrrolidin-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 26365907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).