1-butyl-2-methylpyrrole

C9H15N — CID 66974034

IUPAC1-butyl-2-methylpyrrole
SMILESCCCCn1cccc1C
InChIInChI=1S/C9H15N/c1-3-4-7-10-8-5-6-9(10)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLFYLKWMUMONXGM-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.60
Rot. Bonds3

About 1-butyl-2-methylpyrrole

1-butyl-2-methylpyrrole (PubChem CID 66974034) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-butyl-2-methylpyrrole.

Molecular Properties

Compound Name1-butyl-2-methylpyrrole
PubChem CID66974034
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-butyl-2-methylpyrrole
SMILESCCCCn1cccc1C
InChIInChI=1S/C9H15N/c1-3-4-7-10-8-5-6-9(10)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLFYLKWMUMONXGM-UHFFFAOYSA-N
XLogP2.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-2-methylpyrrole;hydrobromide
CID 90238176
2-methyl-1-undecylpyrrole;hydrofluoride
CID 175874866
1-(2-bromoethyl)-2-methylpyrrole
CID 14613880
4-(2-methylpyrrol-1-yl)butanoic acid
CID 86172313
1-butyl-2-ethylpyrrole;formonitrile
CID 175875001
3-amino-1-butylpyridin-2-one
CID 62102283
1-butyl-3-iodopyridin-2-one
CID 79785091
1-pentylpyrrol-2-amine
CID 68716148
(1-dodecylpyrrol-2-yl)phosphane
CID 21095442
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
1-hexyl-2-propylpyrrole
CID 171570441
1-octyl-2-propylpyrrole
CID 171570532

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylpyrrole?
The IUPAC name of 1-butyl-2-methylpyrrole (CID 66974034) is 1-butyl-2-methylpyrrole.
What is the SMILES notation for 1-butyl-2-methylpyrrole?
The canonical SMILES for 1-butyl-2-methylpyrrole is CCCCn1cccc1C.
What is the InChIKey of 1-butyl-2-methylpyrrole?
The InChIKey is LFYLKWMUMONXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-7-10-8-5-6-9(10)2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 1-butyl-2-methylpyrrole?
1-butyl-2-methylpyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylpyrrole is sourced from PubChem (CID 66974034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).