(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone

C14H16N2O — CID 84691957

IUPAC(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
SMILESCc1cccc2[nH]cc(C(=O)C3CCNC3)c12
InChIInChI=1S/C14H16N2O/c1-9-3-2-4-12-13(9)11(8-16-12)14(17)10-5-6-15-7-10/h2-4,8,10,15-16H,5-7H2,1H3
InChIKeyKVCPGXZZDUIHCZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.27
Rot. Bonds2

About (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone

(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone (PubChem CID 84691957) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
PubChem CID84691957
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
SMILESCc1cccc2[nH]cc(C(=O)C3CCNC3)c12
InChIInChI=1S/C14H16N2O/c1-9-3-2-4-12-13(9)11(8-16-12)14(17)10-5-6-15-7-10/h2-4,8,10,15-16H,5-7H2,1H3
InChIKeyKVCPGXZZDUIHCZ-UHFFFAOYSA-N
XLogP2.27
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 115351659
(4-nitro-1H-indol-3-yl)-piperidin-3-ylmethanone
CID 64813461
(7-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 82497264
(1,1-dioxothian-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 104518069
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090
(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 103427955
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone (CID 84691957) is (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone is Cc1cccc2[nH]cc(C(=O)C3CCNC3)c12.
What is the InChIKey of (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is KVCPGXZZDUIHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-3-2-4-12-13(9)11(8-16-12)14(17)10-5-6-15-7-10/h2-4,8,10,15-16H,5-7H2,1H3.
What are the key properties of (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone?
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 228.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 84691957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).