3-methyl-1H-pyrrole;propane

C8H15N — CID 91500199

IUPAC3-methyl-1H-pyrrole;propane
SMILESCCC.Cc1cc[nH]c1
InChIInChI=1S/C5H7N.C3H8/c1-5-2-3-6-4-5;1-3-2/h2-4,6H,1H3;3H2,1-2H3
InChIKeyZALLSONZJJOTDP-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.74
Rot. Bonds

About 3-methyl-1H-pyrrole;propane

3-methyl-1H-pyrrole;propane (PubChem CID 91500199) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methyl-1H-pyrrole;propane.

Molecular Properties

Compound Name3-methyl-1H-pyrrole;propane
PubChem CID91500199
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methyl-1H-pyrrole;propane
SMILESCCC.Cc1cc[nH]c1
InChIInChI=1S/C5H7N.C3H8/c1-5-2-3-6-4-5;1-3-2/h2-4,6H,1H3;3H2,1-2H3
InChIKeyZALLSONZJJOTDP-UHFFFAOYSA-N
XLogP2.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Pyrrole
CID 8027
1H-Pyrrole, 3-methyl-
CID 12023
3-ethyl-1H-pyrrole
CID 258383
1H-pyrrole-3-carbonitrile
CID 564206
1-Butylpyrrole
CID 68529
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
1H-Pyrrole-3-carboximidamide
CID 176662
1-(3-Methylbutyl)pyrrole
CID 19863974
N-Isobutylpyrrole
CID 23279512
3-(1H-pyrrol-1-yl)propan-1-amine
CID 4585582
1,3-dimethyl-1H-pyrrole
CID 10964417
3-tert-butyl-1H-pyrrole
CID 11029829

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrrole;propane?
The IUPAC name of 3-methyl-1H-pyrrole;propane (CID 91500199) is 3-methyl-1H-pyrrole;propane.
What is the SMILES notation for 3-methyl-1H-pyrrole;propane?
The canonical SMILES for 3-methyl-1H-pyrrole;propane is CCC.Cc1cc[nH]c1.
What is the InChIKey of 3-methyl-1H-pyrrole;propane?
The InChIKey is ZALLSONZJJOTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C3H8/c1-5-2-3-6-4-5;1-3-2/h2-4,6H,1H3;3H2,1-2H3.
What are the key properties of 3-methyl-1H-pyrrole;propane?
3-methyl-1H-pyrrole;propane has a molecular weight of 125.21 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrrole;propane is sourced from PubChem (CID 91500199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).