1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one

C19H22N2O2 — CID 141032996

IUPAC1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc(OC[C@@H]2CCCN2)cc1
InChIInChI=1S/C19H22N2O2/c22-19-5-1-4-18-17(19)10-12-21(18)15-6-8-16(9-7-15)23-13-14-3-2-11-20-14/h6-10,12,14,20H,1-5,11,13H2/t14-/m0/s1
InChIKeyQGZFOWKKTHIMCU-AWEZNQCLSA-N
MW310.40 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one

1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 141032996) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one
PubChem CID141032996
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1ccn2-c1ccc(OC[C@@H]2CCCN2)cc1
InChIInChI=1S/C19H22N2O2/c22-19-5-1-4-18-17(19)10-12-21(18)15-6-8-16(9-7-15)23-13-14-3-2-11-20-14/h6-10,12,14,20H,1-5,11,13H2/t14-/m0/s1
InChIKeyQGZFOWKKTHIMCU-AWEZNQCLSA-N
XLogP3.13
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(cyclopropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032966
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 23582860
1-[4-[2-(2-methylpropylamino)ethoxy]phenyl]-6,7-dihydro-5H-indol-4-one
CID 141032974
1-[4-(methoxymethyl)phenyl]-6,7-dihydro-5H-indol-4-one
CID 141033006
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(4-bromophenyl)-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 151594530
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide
CID 145418762
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one (CID 141032996) is 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1ccn2-c1ccc(OC[C@@H]2CCCN2)cc1.
What is the InChIKey of 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is QGZFOWKKTHIMCU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19-5-1-4-18-17(19)10-12-21(18)15-6-8-16(9-7-15)23-13-14-3-2-11-20-14/h6-10,12,14,20H,1-5,11,13H2/t14-/m0/s1.
What are the key properties of 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one?
1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 141032996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).