4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one

C13H17N3O — CID 114155169

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2cccc3c2NCC3)CN1
InChIInChI=1S/C13H17N3O/c17-12-6-11(8-16-12)15-7-10-3-1-2-9-4-5-14-13(9)10/h1-3,11,14-15H,4-8H2,(H,16,17)
InChIKeyWADHGUHBTLARHL-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.63
Rot. Bonds3

About 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one

4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one (PubChem CID 114155169) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
PubChem CID114155169
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2cccc3c2NCC3)CN1
InChIInChI=1S/C13H17N3O/c17-12-6-11(8-16-12)15-7-10-3-1-2-9-4-5-14-13(9)10/h1-3,11,14-15H,4-8H2,(H,16,17)
InChIKeyWADHGUHBTLARHL-UHFFFAOYSA-N
XLogP0.63
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexanamine
CID 80650268
4-N-(2,3-dihydro-1H-indol-7-ylmethyl)cyclohexane-1,4-diamine
CID 80648894
N-(2,3-dihydro-1H-indol-7-ylmethyl)-4,4-dimethylcyclohexan-1-amine
CID 80649220
3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
CID 80648400
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218
tert-butyl 7-[[(5-oxopyrrolidin-3-yl)amino]methyl]-2,3-dihydroindole-1-carboxylate
CID 114155316
tert-butyl 3-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidine-1-carboxylate
CID 107239400
5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)cyclohexane-1-carboxamide
CID 80649920
4-ethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)cyclohexan-1-amine
CID 80648414
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one (CID 114155169) is 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2cccc3c2NCC3)CN1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one?
The InChIKey is WADHGUHBTLARHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-6-11(8-16-12)15-7-10-3-1-2-9-4-5-14-13(9)10/h1-3,11,14-15H,4-8H2,(H,16,17).
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one?
4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 114155169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).