3-butan-2-yl-1-methylpyrrole

C9H15N — CID 58652042

IUPAC3-butan-2-yl-1-methylpyrrole
SMILESCCC(C)c1ccn(C)c1
InChIInChI=1S/C9H15N/c1-4-8(2)9-5-6-10(3)7-9/h5-8H,4H2,1-3H3
InChIKeyPEEYREVUBWPFJL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.54
Rot. Bonds2

About 3-butan-2-yl-1-methylpyrrole

3-butan-2-yl-1-methylpyrrole (PubChem CID 58652042) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-butan-2-yl-1-methylpyrrole.

Molecular Properties

Compound Name3-butan-2-yl-1-methylpyrrole
PubChem CID58652042
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-butan-2-yl-1-methylpyrrole
SMILESCCC(C)c1ccn(C)c1
InChIInChI=1S/C9H15N/c1-4-8(2)9-5-6-10(3)7-9/h5-8H,4H2,1-3H3
InChIKeyPEEYREVUBWPFJL-UHFFFAOYSA-N
XLogP2.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
CID 82280921
4-(1-methylpyrrol-3-yl)pentyl acetate
CID 42642992
2-(1-methylpyrrol-3-yl)propanoic acid
CID 82280163
1-(1-methylpyrrol-3-yl)propane-1,3-diol
CID 82280202
7-butan-2-ylimidazo[1,2-a]pyridine
CID 123700933
2-amino-N-[1-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 82490710
3-(methylamino)-1-(1-methylpyrrol-3-yl)propan-1-ol
CID 82280396
3-amino-2-(1-methylpyrrol-3-yl)propanoic acid
CID 82413332
(1-methylcyclopropyl)-(1-methylpyrrol-3-yl)methanamine
CID 82280295
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
4-butan-2-yl-1-propylpyrazole
CID 130194925
2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid
CID 82468283

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methylpyrrole?
The IUPAC name of 3-butan-2-yl-1-methylpyrrole (CID 58652042) is 3-butan-2-yl-1-methylpyrrole.
What is the SMILES notation for 3-butan-2-yl-1-methylpyrrole?
The canonical SMILES for 3-butan-2-yl-1-methylpyrrole is CCC(C)c1ccn(C)c1.
What is the InChIKey of 3-butan-2-yl-1-methylpyrrole?
The InChIKey is PEEYREVUBWPFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-8(2)9-5-6-10(3)7-9/h5-8H,4H2,1-3H3.
What are the key properties of 3-butan-2-yl-1-methylpyrrole?
3-butan-2-yl-1-methylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-methylpyrrole is sourced from PubChem (CID 58652042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).