4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one

C23H26N2O2 — CID 131894796

IUPAC4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCN(C)Cc1ccc(C2CCCN2C(=O)c2cccc3c2CCC3=O)cc1
InChIInChI=1S/C23H26N2O2/c1-24(2)15-16-8-10-17(11-9-16)21-7-4-14-25(21)23(27)20-6-3-5-19-18(20)12-13-22(19)26/h3,5-6,8-11,21H,4,7,12-15H2,1-2H3
InChIKeyBZLYSMWFOFZPCK-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.85
Rot. Bonds4

About 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one

4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 131894796) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID131894796
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESCN(C)Cc1ccc(C2CCCN2C(=O)c2cccc3c2CCC3=O)cc1
InChIInChI=1S/C23H26N2O2/c1-24(2)15-16-8-10-17(11-9-16)21-7-4-14-25(21)23(27)20-6-3-5-19-18(20)12-13-22(19)26/h3,5-6,8-11,21H,4,7,12-15H2,1-2H3
InChIKeyBZLYSMWFOFZPCK-UHFFFAOYSA-N
XLogP3.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 125179783
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 99962130
4-[(2S)-2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CID 164635502
(4-chloro-2-methoxyphenyl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 131921576
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
(3-amino-4-chloro-1H-pyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-1-yl]methanone
CID 77098141
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 118763717

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 131894796) is 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one is CN(C)Cc1ccc(C2CCCN2C(=O)c2cccc3c2CCC3=O)cc1.
What is the InChIKey of 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is BZLYSMWFOFZPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-24(2)15-16-8-10-17(11-9-16)21-7-4-14-25(21)23(27)20-6-3-5-19-18(20)12-13-22(19)26/h3,5-6,8-11,21H,4,7,12-15H2,1-2H3.
What are the key properties of 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one?
4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 362.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 131894796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).