3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one

C14H17N3O — CID 106252596

IUPAC3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2ccc3cc[nH]c3c2)C1=O
InChIInChI=1S/C14H17N3O/c1-17-7-5-12(14(17)18)16-9-10-2-3-11-4-6-15-13(11)8-10/h2-4,6,8,12,15-16H,5,7,9H2,1H3
InChIKeyCZCXZWJHZMVCFF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.49
Rot. Bonds3

About 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one

3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one (PubChem CID 106252596) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one
PubChem CID106252596
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NCc2ccc3cc[nH]c3c2)C1=O
InChIInChI=1S/C14H17N3O/c1-17-7-5-12(14(17)18)16-9-10-2-3-11-4-6-15-13(11)8-10/h2-4,6,8,12,15-16H,5,7,9H2,1H3
InChIKeyCZCXZWJHZMVCFF-UHFFFAOYSA-N
XLogP1.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzonitrile
CID 106257106
1-methyl-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 113239717
2,2-dicyclopropyl-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911260
3-[(1-ethylpyrrol-2-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253585
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
3-[(2-cyclopropylphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 103739369
3-[(2-aminophenyl)methylamino]-1-methylpyrrolidin-2-one
CID 106252839
N-(1H-indol-6-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 102909770
N-(furan-3-ylmethyl)-1-(1H-indol-6-yl)methanamine
CID 102912129
1-(4-ethylcyclohexyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102910232
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one (CID 106252596) is 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one is CN1CCC(NCc2ccc3cc[nH]c3c2)C1=O.
What is the InChIKey of 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one?
The InChIKey is CZCXZWJHZMVCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-7-5-12(14(17)18)16-9-10-2-3-11-4-6-15-13(11)8-10/h2-4,6,8,12,15-16H,5,7,9H2,1H3.
What are the key properties of 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one?
3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-ylmethylamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106252596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).