4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one

C13H15N3O — CID 106182577

IUPAC4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc3[nH]ccc3c2)CN1
InChIInChI=1S/C13H15N3O/c17-13-6-11(8-16-13)15-7-9-1-2-12-10(5-9)3-4-14-12/h1-5,11,14-15H,6-8H2,(H,16,17)
InChIKeyOPKQXSIQWRBKFN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.15
Rot. Bonds3

About 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one

4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one (PubChem CID 106182577) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
PubChem CID106182577
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc3[nH]ccc3c2)CN1
InChIInChI=1S/C13H15N3O/c17-13-6-11(8-16-13)15-7-9-1-2-12-10(5-9)3-4-14-12/h1-5,11,14-15H,6-8H2,(H,16,17)
InChIKeyOPKQXSIQWRBKFN-UHFFFAOYSA-N
XLogP1.15
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
3-(1H-indol-5-ylmethylamino)cyclohexan-1-ol
CID 102909895
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
tert-butyl N-[3-(1H-indol-5-ylmethylamino)cyclobutyl]carbamate
CID 107238877
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631
4-(1H-indol-5-yl)-6-oxopiperidine-3-carboxylic acid
CID 82623597
2-[3-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenoxy]acetonitrile
CID 106184192

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one (CID 106182577) is 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one is O=C1CC(NCc2ccc3[nH]ccc3c2)CN1.
What is the InChIKey of 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one?
The InChIKey is OPKQXSIQWRBKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-6-11(8-16-13)15-7-9-1-2-12-10(5-9)3-4-14-12/h1-5,11,14-15H,6-8H2,(H,16,17).
What are the key properties of 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one?
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 106182577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).