1-butyl-2,5-dimethylpyrrole

C10H17N — CID 527528

IUPAC1-butyl-2,5-dimethylpyrrole
SMILESCCCCn1c(C)ccc1C
InChIInChI=1S/C10H17N/c1-4-5-8-11-9(2)6-7-10(11)3/h6-7H,4-5,8H2,1-3H3
InChIKeyJGKOPBGMDUJNPF-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.91
Rot. Bonds3

About 1-butyl-2,5-dimethylpyrrole

1-butyl-2,5-dimethylpyrrole (PubChem CID 527528) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-butyl-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-butyl-2,5-dimethylpyrrole
PubChem CID527528
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-butyl-2,5-dimethylpyrrole
SMILESCCCCn1c(C)ccc1C
InChIInChI=1S/C10H17N/c1-4-5-8-11-9(2)6-7-10(11)3/h6-7H,4-5,8H2,1-3H3
InChIKeyJGKOPBGMDUJNPF-UHFFFAOYSA-N
XLogP2.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Dimethylpyrrole
CID 12265
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
1,2,5-Trimethylpyrrole
CID 70260
2,5-Dimethyl-1-phenylpyrrole
CID 66518
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline
CID 762122
1,2-Dimethylpyridinium iodide
CID 70107
1-Butyl-2-methylpyridinium chloride
CID 21988023
1-Phenylpyrrole
CID 12480
1-Methylpyrrole-2-carbonitrile
CID 2064111
1-Butyl-2-methylpyridinium bromide
CID 13240377
6-Methyl-2-(2-oxopropyl)-1-propyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2-ium bromide
CID 16192594
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,5-dimethylpyrrole?
The IUPAC name of 1-butyl-2,5-dimethylpyrrole (CID 527528) is 1-butyl-2,5-dimethylpyrrole.
What is the SMILES notation for 1-butyl-2,5-dimethylpyrrole?
The canonical SMILES for 1-butyl-2,5-dimethylpyrrole is CCCCn1c(C)ccc1C.
What is the InChIKey of 1-butyl-2,5-dimethylpyrrole?
The InChIKey is JGKOPBGMDUJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-5-8-11-9(2)6-7-10(11)3/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 1-butyl-2,5-dimethylpyrrole?
1-butyl-2,5-dimethylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,5-dimethylpyrrole is sourced from PubChem (CID 527528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).