4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole

C8H15N — CID 45092476

IUPAC4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1=NCCC1C
InChIInChI=1S/C8H15N/c1-6(2)8-7(3)4-5-9-8/h6-7H,4-5H2,1-3H3
InChIKeyNQFBNGIWYKRASR-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.12
Rot. Bonds1

About 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole

4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 45092476) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID45092476
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1=NCCC1C
InChIInChI=1S/C8H15N/c1-6(2)8-7(3)4-5-9-8/h6-7H,4-5H2,1-3H3
InChIKeyNQFBNGIWYKRASR-UHFFFAOYSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3,4-dihydro-2H-pyrrole
CID 2777143
3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 5323987
2-Isopropyl-1-pyrroline
CID 11126203
Dimethyl-1-pyrroline
CID 12706237
3,4,5,6-Tetrahydro-2,3,3-trimethylpyridine
CID 13157776
6-(Propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 22956980
Azabicyclo[2.2.1]heptene
CID 67092065
Pyrroline, 2-isobutyl
CID 58280054
Methanamine, N-[2-methyl-1-(1-methylethyl)butylidene]-
CID 535830
(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 15939097
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 12791710
5-Ethyl-3,3-dimethyl-2,4-dihydropyrrole
CID 15652690

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole (CID 45092476) is 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole is CC(C)C1=NCCC1C.
What is the InChIKey of 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is NQFBNGIWYKRASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)8-7(3)4-5-9-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole?
4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 45092476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).