5-butan-2-yl-2,3-dihydro-1H-pyrrole

C8H15N — CID 20781284

IUPAC5-butan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCCC(C)C1=CCCN1
InChIInChI=1S/C8H15N/c1-3-7(2)8-5-4-6-9-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyTVDJLQBBMRBOMZ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.91
Rot. Bonds2

About 5-butan-2-yl-2,3-dihydro-1H-pyrrole

5-butan-2-yl-2,3-dihydro-1H-pyrrole (PubChem CID 20781284) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-butan-2-yl-2,3-dihydro-1H-pyrrole
PubChem CID20781284
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-butan-2-yl-2,3-dihydro-1H-pyrrole
SMILESCCC(C)C1=CCCN1
InChIInChI=1S/C8H15N/c1-3-7(2)8-5-4-6-9-8/h5,7,9H,3-4,6H2,1-2H3
InChIKeyTVDJLQBBMRBOMZ-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12231236
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2,5-dimethyl-2,3-dihydro-1H-pyrrole
CID 22048502
3,3,5-Trimethyl-1,2-dihydropyrrole
CID 12647060
5-methyl-2,3-dihydro-1H-pyrrole
CID 19816704
4-Dihydro-2,4-dihydro-2,4,6-tri-methylpyridine
CID 21326805
6-Methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
CID 126694523
(E,4R)-4-fluoro-N-(2-methylpropyl)hept-2-en-2-amine
CID 139324079
(3R)-5-fluoro-3-methyl-7-methylidene-1,2,3,4-tetrahydroazepine
CID 174002187
3-fluoro-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 174532269
2-tert-Butyl-pyrroline
CID 573472
2-n-Propyl-4-ethylpyrroline
CID 129804295

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-butan-2-yl-2,3-dihydro-1H-pyrrole (CID 20781284) is 5-butan-2-yl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-butan-2-yl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-butan-2-yl-2,3-dihydro-1H-pyrrole is CCC(C)C1=CCCN1.
What is the InChIKey of 5-butan-2-yl-2,3-dihydro-1H-pyrrole?
The InChIKey is TVDJLQBBMRBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7(2)8-5-4-6-9-8/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 5-butan-2-yl-2,3-dihydro-1H-pyrrole?
5-butan-2-yl-2,3-dihydro-1H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 20781284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).