(5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone

C19H25N3O2 — CID 23646018

IUPAC(5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SMILESCc1ccc2c(c1)CN(C(=O)[C@@H]1CN[C@H](C(=O)N3CCCC3)C1)C2
InChIInChI=1S/C19H25N3O2/c1-13-4-5-14-11-22(12-16(14)8-13)18(23)15-9-17(20-10-15)19(24)21-6-2-3-7-21/h4-5,8,15,17,20H,2-3,6-7,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyHCXINLXJMLYDLZ-RDJZCZTQSA-N
MW327.43 g/mol
LogP1.44
Rot. Bonds2

About (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone

(5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone (PubChem CID 23646018) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
PubChem CID23646018
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SMILESCc1ccc2c(c1)CN(C(=O)[C@@H]1CN[C@H](C(=O)N3CCCC3)C1)C2
InChIInChI=1S/C19H25N3O2/c1-13-4-5-14-11-22(12-16(14)8-13)18(23)15-9-17(20-10-15)19(24)21-6-2-3-7-21/h4-5,8,15,17,20H,2-3,6-7,9-12H2,1H3/t15-,17-/m0/s1
InChIKeyHCXINLXJMLYDLZ-RDJZCZTQSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-[2-cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-3-methyl-1-oxobutyl]-1,3-dihydroisoindole
CID 10383508
2-{[(3S,5S)-5-{[(3S)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 16223559
3-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylcarbonyl)pyrrolidin-2-yl]carbonyl}-1,3-thiazolidine
CID 16226604
2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 16226605
5-chloro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 11681778
(2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylcarbonyl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 16223560
(2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylcarbonyl)-5,5-dimethylpyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile
CID 16223762
5-fluoro-2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646016
2-{[(3S,5S)-5-(pyrrolidin-1-ylcarbonyl)pyrrolidin-3-yl]carbonyl}-5-(trifluoromethyl)-2,3-dihydro-1H-isoindole
CID 23646017
2-{[(3S,5S)-5-{[(3R)-3-fluoropyrrolidin-1-yl]carbonyl}pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646023
2-{[(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl]carbonyl}-2,3-dihydro-1H-isoindole
CID 23646024
(2S,4S,5S)-N-(cyanomethyl)-4-(1,3-dihydroisoindole-2-carbonyl)-N-ethyl-5-methylpyrrolidine-2-carboxamide
CID 16064809

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone (CID 23646018) is (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone is Cc1ccc2c(c1)CN(C(=O)[C@@H]1CN[C@H](C(=O)N3CCCC3)C1)C2.
What is the InChIKey of (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
The InChIKey is HCXINLXJMLYDLZ-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-4-5-14-11-22(12-16(14)8-13)18(23)15-9-17(20-10-15)19(24)21-6-2-3-7-21/h4-5,8,15,17,20H,2-3,6-7,9-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
(5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-dihydroisoindol-2-yl)-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 23646018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).