2-methyl-1-[(1S)-1-phenylpropyl]pyrrole

C14H17N — CID 175326097

IUPAC2-methyl-1-[(1S)-1-phenylpropyl]pyrrole
SMILESCC[C@@H](c1ccccc1)n1cccc1C
InChIInChI=1S/C14H17N/c1-3-14(13-9-5-4-6-10-13)15-11-7-8-12(15)2/h4-11,14H,3H2,1-2H3/t14-/m0/s1
InChIKeyUUSHWHKAQNGVBP-AWEZNQCLSA-N
MW199.30 g/mol
LogP3.80
Rot. Bonds3

About 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole

2-methyl-1-[(1S)-1-phenylpropyl]pyrrole (PubChem CID 175326097) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole.

Molecular Properties

Compound Name2-methyl-1-[(1S)-1-phenylpropyl]pyrrole
PubChem CID175326097
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-methyl-1-[(1S)-1-phenylpropyl]pyrrole
SMILESCC[C@@H](c1ccccc1)n1cccc1C
InChIInChI=1S/C14H17N/c1-3-14(13-9-5-4-6-10-13)15-11-7-8-12(15)2/h4-11,14H,3H2,1-2H3/t14-/m0/s1
InChIKeyUUSHWHKAQNGVBP-AWEZNQCLSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-2-methylpyrrole
CID 90886743
2-phenyl-1-(1-phenylpropyl)pyrrole-3-carboxylic acid
CID 68665395
1-[1-(4-methylphenyl)propyl]indole
CID 141127002
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[(1S)-1-ethoxyethyl]-2-methylpyrrole
CID 40547759
4-methyl-1-(1-phenylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106569605
[3-(1-phenylpropyl)imidazol-4-yl]methanamine
CID 66151583
(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
CID 11435866
(2R)-2-(2-methylpyrrol-1-yl)propan-1-ol
CID 45087799
2-[4-methyl-1-(1-phenylpropyl)imidazol-2-yl]sulfanylacetic acid
CID 81336484
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
CID 62303894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole?
The IUPAC name of 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole (CID 175326097) is 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole.
What is the SMILES notation for 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole?
The canonical SMILES for 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole is CC[C@@H](c1ccccc1)n1cccc1C.
What is the InChIKey of 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole?
The InChIKey is UUSHWHKAQNGVBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N/c1-3-14(13-9-5-4-6-10-13)15-11-7-8-12(15)2/h4-11,14H,3H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole?
2-methyl-1-[(1S)-1-phenylpropyl]pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1S)-1-phenylpropyl]pyrrole is sourced from PubChem (CID 175326097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).