1-[3-(2-methylpropyl)phenyl]pyrrole

C14H17N — CID 59353148

IUPAC1-[3-(2-methylpropyl)phenyl]pyrrole
SMILESCC(C)Cc1cccc(-n2cccc2)c1
InChIInChI=1S/C14H17N/c1-12(2)10-13-6-5-7-14(11-13)15-8-3-4-9-15/h3-9,11-12H,10H2,1-2H3
InChIKeyLUKKAGJZKYIJEJ-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.68
Rot. Bonds3

About 1-[3-(2-methylpropyl)phenyl]pyrrole

1-[3-(2-methylpropyl)phenyl]pyrrole (PubChem CID 59353148) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)phenyl]pyrrole
PubChem CID59353148
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-[3-(2-methylpropyl)phenyl]pyrrole
SMILESCC(C)Cc1cccc(-n2cccc2)c1
InChIInChI=1S/C14H17N/c1-12(2)10-13-6-5-7-14(11-13)15-8-3-4-9-15/h3-9,11-12H,10H2,1-2H3
InChIKeyLUKKAGJZKYIJEJ-UHFFFAOYSA-N
XLogP3.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(methylsulfanylmethyl)phenyl]pyrrole
CID 130139599
1-iodo-3-(2-methylpropyl)benzene
CID 18417600
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
N-propan-2-yl-3-pyrrol-1-ylaniline
CID 43733059
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
(2R)-2-methyl-1-[3-(2-methylpropyl)phenyl]piperazine
CID 166036202
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-(3-tert-butylphenyl)-3-[3-(2-methylpropyl)phenyl]-4,5-bis(sulfanyl)imidazole-2-thione
CID 140616806
5,5-dimethyl-4-methylidene-1-[3-(2-methylpropyl)phenyl]pyrazolidin-3-one
CID 151912060
4-[3-(2-methylpropyl)phenyl]butan-2-one
CID 116545690
5-(2-methylpropyl)pyrazolo[1,5-a]pyridine
CID 146215810
3-(2-methylpropyl)benzonitrile
CID 19024755

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)phenyl]pyrrole?
The IUPAC name of 1-[3-(2-methylpropyl)phenyl]pyrrole (CID 59353148) is 1-[3-(2-methylpropyl)phenyl]pyrrole.
What is the SMILES notation for 1-[3-(2-methylpropyl)phenyl]pyrrole?
The canonical SMILES for 1-[3-(2-methylpropyl)phenyl]pyrrole is CC(C)Cc1cccc(-n2cccc2)c1.
What is the InChIKey of 1-[3-(2-methylpropyl)phenyl]pyrrole?
The InChIKey is LUKKAGJZKYIJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-12(2)10-13-6-5-7-14(11-13)15-8-3-4-9-15/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)phenyl]pyrrole?
1-[3-(2-methylpropyl)phenyl]pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)phenyl]pyrrole is sourced from PubChem (CID 59353148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).