3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole

C16H17N — CID 173192551

IUPAC3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole
SMILESCCC1=Cc2c(cccc2-c2ccn(C)c2)C1
InChIInChI=1S/C16H17N/c1-3-12-9-13-5-4-6-15(16(13)10-12)14-7-8-17(2)11-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyGIVSBQFTNQJYFV-UHFFFAOYSA-N
MW223.32 g/mol
LogP4.04
Rot. Bonds2

About 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole

3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole (PubChem CID 173192551) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole.

Molecular Properties

Compound Name3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole
PubChem CID173192551
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole
SMILESCCC1=Cc2c(cccc2-c2ccn(C)c2)C1
InChIInChI=1S/C16H17N/c1-3-12-9-13-5-4-6-15(16(13)10-12)14-7-8-17(2)11-14/h4-8,10-11H,3,9H2,1-2H3
InChIKeyGIVSBQFTNQJYFV-UHFFFAOYSA-N
XLogP4.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-chlorophenyl)-2-ethyl-1H-indene
CID 18008260
2-ethyl-4-(3-fluorophenyl)-1H-indene
CID 173192641
5-[[4-(2-ethyl-1H-inden-4-yl)phenyl]methyl]-2-methoxybenzenethiol
CID 173192624
2-(cyclohexylmethyl)-4-(4-ethylphenyl)-1H-indene
CID 87473753
2-ethyl-4-prop-2-enyl-1H-indene
CID 173192887
4-(3,5-dimethylphenyl)-2-[(1-propylcyclopropyl)methyl]-1H-indene
CID 87381428
2-hexyl-4-(4-propylphenyl)-1H-indene
CID 22507887
2-butyl-4-(2-phenylphenyl)-1H-indene
CID 154024612
dimethyl-[2-(4-phenyl-1H-inden-2-yl)ethylidene]silane
CID 150701216
4-(2-ethylphenyl)-2-(2-methylpropyl)-1H-indene
CID 87905875
trimethyl-[4-[2-[(1-propylcyclopropyl)methyl]-1H-inden-4-yl]phenyl]silane
CID 87381858
triethyl-[4-[2-(2-methylpropyl)-1H-inden-4-yl]phenyl]azanium
CID 173241812

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole?
The IUPAC name of 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole (CID 173192551) is 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole.
What is the SMILES notation for 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole?
The canonical SMILES for 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole is CCC1=Cc2c(cccc2-c2ccn(C)c2)C1.
What is the InChIKey of 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole?
The InChIKey is GIVSBQFTNQJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-3-12-9-13-5-4-6-15(16(13)10-12)14-7-8-17(2)11-14/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole?
3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole has a molecular weight of 223.32 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-1H-inden-4-yl)-1-methylpyrrole is sourced from PubChem (CID 173192551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).