3,5-dimethyl-4-propyl-3H-pyrrole

C9H15N — CID 69174213

IUPAC3,5-dimethyl-4-propyl-3H-pyrrole
SMILESCCCC1=C(C)N=CC1C
InChIInChI=1S/C9H15N/c1-4-5-9-7(2)6-10-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyBJNGDBGYQHZFBO-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.78
Rot. Bonds2

About 3,5-dimethyl-4-propyl-3H-pyrrole

3,5-dimethyl-4-propyl-3H-pyrrole (PubChem CID 69174213) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-propyl-3H-pyrrole.

Molecular Properties

Compound Name3,5-dimethyl-4-propyl-3H-pyrrole
PubChem CID69174213
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3,5-dimethyl-4-propyl-3H-pyrrole
SMILESCCCC1=C(C)N=CC1C
InChIInChI=1S/C9H15N/c1-4-5-9-7(2)6-10-8(9)3/h6-7H,4-5H2,1-3H3
InChIKeyBJNGDBGYQHZFBO-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,5,6-Trimethyl-3,4-dihydropyridine
CID 88976975
4-ethyl-5-methyl-3H-pyrrole
CID 20767300
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
4,5-di(propan-2-yl)-3H-pyrrole
CID 22891059
3,5-Dimethyl-6-octyl-3,4-dihydropyridine
CID 54387990
4,5-ditert-butyl-3H-pyrrole
CID 57658460
2-methyl-4,5-di(propan-2-yl)-3H-pyrrole
CID 58201783
5-methyl-4-propan-2-yl-3H-pyrrole
CID 58525265
4-methyl-5-propan-2-yl-3H-pyrrole
CID 58574277
4,5-dimethyl-2-propan-2-yl-3H-pyrrole
CID 58746494
3-ethyl-4-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 59359592
5-ethyl-4,5,6,7-tetrahydro-3H-indole
CID 68040987

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propyl-3H-pyrrole?
The IUPAC name of 3,5-dimethyl-4-propyl-3H-pyrrole (CID 69174213) is 3,5-dimethyl-4-propyl-3H-pyrrole.
What is the SMILES notation for 3,5-dimethyl-4-propyl-3H-pyrrole?
The canonical SMILES for 3,5-dimethyl-4-propyl-3H-pyrrole is CCCC1=C(C)N=CC1C.
What is the InChIKey of 3,5-dimethyl-4-propyl-3H-pyrrole?
The InChIKey is BJNGDBGYQHZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-9-7(2)6-10-8(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-propyl-3H-pyrrole?
3,5-dimethyl-4-propyl-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propyl-3H-pyrrole is sourced from PubChem (CID 69174213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).