3-butyl-3H-pyrrole

C8H13N — CID 143690017

IUPAC3-butyl-3H-pyrrole
SMILESCCCCC1C=CN=C1
InChIInChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h5-8H,2-4H2,1H3
InChIKeyLSSHVBKHNQCCKN-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds3

About 3-butyl-3H-pyrrole

3-butyl-3H-pyrrole (PubChem CID 143690017) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 3-butyl-3H-pyrrole.

Molecular Properties

Compound Name3-butyl-3H-pyrrole
PubChem CID143690017
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name3-butyl-3H-pyrrole
SMILESCCCCC1C=CN=C1
InChIInChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h5-8H,2-4H2,1H3
InChIKeyLSSHVBKHNQCCKN-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8E)-4-ethyl-3-fluoro-6-methyl-4,5,6,7-tetrahydro-3H-azonine
CID 137399813
5-bromo-3-(3-fluoropent-4-enyl)-3H-pyrrole
CID 139319460
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
4-Methyl-3,4-dihydropyridine
CID 14979260
4-Ethyl-3,4-dihydropyridine
CID 14979261
4-Propan-2-yl-3,4-dihydropyridine
CID 14979262
4-Tert-butyl-3,4-dihydropyridine
CID 14979263
5-Propan-2-yl-3,4-dihydropyridine
CID 14979266
3-Methyl-3,4-dihydropyridine
CID 14979268
3-Ethyl-3,4-dihydropyridine
CID 14979269
3-Tert-butyl-3,4-dihydropyridine
CID 14979271
2-methyl-3-propyl-3H-pyrrole
CID 20806847

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3H-pyrrole?
The IUPAC name of 3-butyl-3H-pyrrole (CID 143690017) is 3-butyl-3H-pyrrole.
What is the SMILES notation for 3-butyl-3H-pyrrole?
The canonical SMILES for 3-butyl-3H-pyrrole is CCCCC1C=CN=C1.
What is the InChIKey of 3-butyl-3H-pyrrole?
The InChIKey is LSSHVBKHNQCCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h5-8H,2-4H2,1H3.
What are the key properties of 3-butyl-3H-pyrrole?
3-butyl-3H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3H-pyrrole is sourced from PubChem (CID 143690017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).