3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole

C15H27N — CID 166458956

IUPAC3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
SMILESCCc1c(C(C)C)[nH]c(C(C)C)c1C(C)C
InChIInChI=1S/C15H27N/c1-8-12-13(9(2)3)15(11(6)7)16-14(12)10(4)5/h9-11,16H,8H2,1-7H3
InChIKeyJSTDNSZXVXASNV-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.95
Rot. Bonds4

About 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole

3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole (PubChem CID 166458956) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole.

Molecular Properties

Compound Name3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
PubChem CID166458956
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole
SMILESCCc1c(C(C)C)[nH]c(C(C)C)c1C(C)C
InChIInChI=1S/C15H27N/c1-8-12-13(9(2)3)15(11(6)7)16-14(12)10(4)5/h9-11,16H,8H2,1-7H3
InChIKeyJSTDNSZXVXASNV-UHFFFAOYSA-N
XLogP4.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

9-ethyl-10-propan-2-ylanthracene
CID 145486234
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
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1-ethyl-2,3,5,6-tetrafluoro-4-propan-2-ylbenzene
CID 122480972
3,4-dimethyl-2,5-di(propan-2-yl)-1H-pyrrole
CID 70348156
1-ethyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-propan-2-ylphenyl)benzene
CID 174123096
1,2,3,4-tetraethyl-5,6,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene
CID 139940266
sodium 2-chloro-4-ethyl-3,5-dimethyl-6-propan-2-ylphenol
CID 18362565
6-ethyl-2-phenyl-7-propan-2-yl-8H-imidazo[1,2-a]pyrimidin-5-one
CID 166788912
3,6-diethyl-2,5-di(propan-2-yl)thieno[3,2-b]thiophene
CID 176857673
2,3-di(propan-2-yl)-1H-indole
CID 15398122
4-ethyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
CID 176926524
2,3,4-triethyl-5-propan-2-ylthiophene
CID 137413356

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole?
The IUPAC name of 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole (CID 166458956) is 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole.
What is the SMILES notation for 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole?
The canonical SMILES for 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole is CCc1c(C(C)C)[nH]c(C(C)C)c1C(C)C.
What is the InChIKey of 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole?
The InChIKey is JSTDNSZXVXASNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-8-12-13(9(2)3)15(11(6)7)16-14(12)10(4)5/h9-11,16H,8H2,1-7H3.
What are the key properties of 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole?
3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole has a molecular weight of 221.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4,5-tri(propan-2-yl)-1H-pyrrole is sourced from PubChem (CID 166458956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).