2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine

C14H16N2 — CID 130382141

IUPAC2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine
SMILESCc1ccc(-c2ccccn2)n1CC1CC1
InChIInChI=1S/C14H16N2/c1-11-5-8-14(13-4-2-3-9-15-13)16(11)10-12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyVJGOLDRYLVPTJE-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.27
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine

2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine (PubChem CID 130382141) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine
PubChem CID130382141
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine
SMILESCc1ccc(-c2ccccn2)n1CC1CC1
InChIInChI=1S/C14H16N2/c1-11-5-8-14(13-4-2-3-9-15-13)16(11)10-12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyVJGOLDRYLVPTJE-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole
CID 130382198
4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine
CID 22248364
4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol
CID 106131776
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164786
2-bromo-1-(cyclopropylmethyl)-5-methylpyrrole
CID 130382140
1-(cyclopropylmethyl)-3-pyridin-2-yl-1,8-naphthyridin-2-one
CID 14941474
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one
CID 167930767
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol
CID 121213327
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine (CID 130382141) is 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine is Cc1ccc(-c2ccccn2)n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine?
The InChIKey is VJGOLDRYLVPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-5-8-14(13-4-2-3-9-15-13)16(11)10-12-6-7-12/h2-5,8-9,12H,6-7,10H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine?
2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine has a molecular weight of 212.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-methylpyrrol-2-yl]pyridine is sourced from PubChem (CID 130382141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).