1-methyl-2-phenyl-5-propylpyrrole

C14H17N — CID 145261316

IUPAC1-methyl-2-phenyl-5-propylpyrrole
SMILESCCCc1ccc(-c2ccccc2)n1C
InChIInChI=1S/C14H17N/c1-3-7-13-10-11-14(15(13)2)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3
InChIKeyTWHYWKAADWRDKU-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.64
Rot. Bonds3

About 1-methyl-2-phenyl-5-propylpyrrole

1-methyl-2-phenyl-5-propylpyrrole (PubChem CID 145261316) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-methyl-2-phenyl-5-propylpyrrole.

Molecular Properties

Compound Name1-methyl-2-phenyl-5-propylpyrrole
PubChem CID145261316
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name1-methyl-2-phenyl-5-propylpyrrole
SMILESCCCc1ccc(-c2ccccc2)n1C
InChIInChI=1S/C14H17N/c1-3-7-13-10-11-14(15(13)2)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3
InChIKeyTWHYWKAADWRDKU-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Related Compounds

(1-methyl-5-propylpyrrol-2-yl)methanol
CID 100793005
2-(2-ethyl-5-phenylpyrrol-1-yl)ethanol
CID 22168753
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-1-propylpyrrol-2-yl]phenyl]aniline
CID 90058040
3-amino-1-methyl-6-phenylpyridin-2-one
CID 82096988
1-methyl-2-propylindole
CID 13170349
1-phenyl-3-propylbenzene
CID 4110465
1,5-dimethyl-4-phenyl-2-propylimidazole
CID 45097384
azane;1,1'-biphenyl;butane
CID 155168826
2-[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]acetaldehyde
CID 57239785
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
4-phenyl-6-propylpyrimido[2,1-c][1,2,4]triazin-8-one
CID 155806531

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-5-propylpyrrole?
The IUPAC name of 1-methyl-2-phenyl-5-propylpyrrole (CID 145261316) is 1-methyl-2-phenyl-5-propylpyrrole.
What is the SMILES notation for 1-methyl-2-phenyl-5-propylpyrrole?
The canonical SMILES for 1-methyl-2-phenyl-5-propylpyrrole is CCCc1ccc(-c2ccccc2)n1C.
What is the InChIKey of 1-methyl-2-phenyl-5-propylpyrrole?
The InChIKey is TWHYWKAADWRDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-3-7-13-10-11-14(15(13)2)12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of 1-methyl-2-phenyl-5-propylpyrrole?
1-methyl-2-phenyl-5-propylpyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-5-propylpyrrole is sourced from PubChem (CID 145261316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).