4,5-di(propan-2-yl)-3H-pyrrole;ethane

C12H23N — CID 161291459

IUPAC4,5-di(propan-2-yl)-3H-pyrrole;ethane
SMILESCC.CC(C)C1=C(C(C)C)N=CC1
InChIInChI=1S/C10H17N.C2H6/c1-7(2)9-5-6-11-10(9)8(3)4;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyVGKBETCTJRLVFD-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.05
Rot. Bonds2

About 4,5-di(propan-2-yl)-3H-pyrrole;ethane

4,5-di(propan-2-yl)-3H-pyrrole;ethane (PubChem CID 161291459) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-3H-pyrrole;ethane.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-3H-pyrrole;ethane
PubChem CID161291459
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4,5-di(propan-2-yl)-3H-pyrrole;ethane
SMILESCC.CC(C)C1=C(C(C)C)N=CC1
InChIInChI=1S/C10H17N.C2H6/c1-7(2)9-5-6-11-10(9)8(3)4;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyVGKBETCTJRLVFD-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-4-propan-2-yl-3H-pyrrole
CID 134237221
3-propan-2-yl-7H-pyrrolo[3,2-c]pyridazine
CID 146184224
2-propan-2-yl-4H-imidazole
CID 58671593
5,6-di(propan-2-yl)-3H-indole
CID 118098351
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
3,8-dimethyl-5-propan-2-yl-6,7-dihydronaphthalene-1,2-diol
CID 54105253
6-methoxy-5-propan-2-yl-3,4-dihydropyridine
CID 171832855
1-phenyl-5,6-di(propan-2-yl)-2H-pyrazine
CID 67345062
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
ethane;1,2,3,4-tetra(propan-2-yl)cyclohexa-1,3-diene
CID 167536251
2,4-di(propan-2-yl)-5H-pyrrolo[2,3-d]pyrimidine
CID 168755749
triethyl-(2-propan-2-ylcyclohexa-1,4-dien-1-yl)oxysilane
CID 13159355

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-3H-pyrrole;ethane?
The IUPAC name of 4,5-di(propan-2-yl)-3H-pyrrole;ethane (CID 161291459) is 4,5-di(propan-2-yl)-3H-pyrrole;ethane.
What is the SMILES notation for 4,5-di(propan-2-yl)-3H-pyrrole;ethane?
The canonical SMILES for 4,5-di(propan-2-yl)-3H-pyrrole;ethane is CC.CC(C)C1=C(C(C)C)N=CC1.
What is the InChIKey of 4,5-di(propan-2-yl)-3H-pyrrole;ethane?
The InChIKey is VGKBETCTJRLVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-7(2)9-5-6-11-10(9)8(3)4;1-2/h6-8H,5H2,1-4H3;1-2H3.
What are the key properties of 4,5-di(propan-2-yl)-3H-pyrrole;ethane?
4,5-di(propan-2-yl)-3H-pyrrole;ethane has a molecular weight of 181.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-3H-pyrrole;ethane is sourced from PubChem (CID 161291459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).