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

C7H13N — CID 11126203

IUPAC5-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1=NCCC1
InChIInChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h6H,3-5H2,1-2H3
InChIKeyQHOFHBIBSFDMDJ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.88
Rot. Bonds1

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

5-propan-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 11126203) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID11126203
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5-propan-2-yl-3,4-dihydro-2H-pyrrole
SMILESCC(C)C1=NCCC1
InChIInChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h6H,3-5H2,1-2H3
InChIKeyQHOFHBIBSFDMDJ-UHFFFAOYSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-3,4-dihydro-2H-pyrrole
CID 3013985
5-tert-butyl-3,4-dihydro-2H-pyrrole
CID 2777143
3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 5323987
5-Cyclopropyl-3,4-dihydro-2H-pyrrole
CID 10606711
2H-Pyrrole, 3,4-dihydro-3,3,5-trimethyl-
CID 12141939
2,5,5-Trimethyl-1-pyrroline
CID 12456306
Dimethyl-1-pyrroline
CID 12706237
6-(Propan-2-yl)-2,3,4,5-tetrahydropyridine
CID 22956980
Azabicyclo[2.2.1]heptene
CID 67092065
5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole
CID 123958711
Pyrroline, 2-isobutyl
CID 58280054
(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 15939097

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-pyrrole (CID 11126203) is 5-propan-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-pyrrole is CC(C)C1=NCCC1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is QHOFHBIBSFDMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6(2)7-4-3-5-8-7/h6H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-pyrrole?
5-propan-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11126203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).