1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one

C14H18N2O — CID 84793759

IUPAC1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cccc(CC3CCNC3)c21
InChIInChI=1S/C14H18N2O/c1-16-13(17)8-12-4-2-3-11(14(12)16)7-10-5-6-15-9-10/h2-4,10,15H,5-9H2,1H3
InChIKeyRRSPHDCNMYZYGL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.36
Rot. Bonds2

About 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one

1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one (PubChem CID 84793759) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
PubChem CID84793759
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
SMILESCN1C(=O)Cc2cccc(CC3CCNC3)c21
InChIInChI=1S/C14H18N2O/c1-16-13(17)8-12-4-2-3-11(14(12)16)7-10-5-6-15-9-10/h2-4,10,15H,5-9H2,1H3
InChIKeyRRSPHDCNMYZYGL-UHFFFAOYSA-N
XLogP1.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-8-(pyrrolidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 84793933
3-[(2-methyl-2,3-dihydro-1-benzothiophen-7-yl)methyl]pyrrolidine
CID 84796476
1-methyl-5-(piperidin-4-ylmethyl)-3,4-dihydroquinolin-2-one
CID 117399770
1-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 82239891
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
1-piperidin-4-yl-7-propyl-3H-indol-2-one
CID 84637451
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
CID 84808890
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
3-(2-naphthalen-1-ylethyl)pyrrolidine
CID 116925512
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
CID 117436462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
The IUPAC name of 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one (CID 84793759) is 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one.
What is the SMILES notation for 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
The canonical SMILES for 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one is CN1C(=O)Cc2cccc(CC3CCNC3)c21.
What is the InChIKey of 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
The InChIKey is RRSPHDCNMYZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-13(17)8-12-4-2-3-11(14(12)16)7-10-5-6-15-9-10/h2-4,10,15H,5-9H2,1H3.
What are the key properties of 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one?
1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one has a molecular weight of 230.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one is sourced from PubChem (CID 84793759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).