2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine

C16H19N — CID 175879310

IUPAC2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine
SMILESCc1ccc(C2CC2CC2C=CC=CC2)nc1
InChIInChI=1S/C16H19N/c1-12-7-8-16(17-11-12)15-10-14(15)9-13-5-3-2-4-6-13/h2-5,7-8,11,13-15H,6,9-10H2,1H3
InChIKeyOCNCYQBVDSLETC-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine

2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine (PubChem CID 175879310) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine
PubChem CID175879310
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine
SMILESCc1ccc(C2CC2CC2C=CC=CC2)nc1
InChIInChI=1S/C16H19N/c1-12-7-8-16(17-11-12)15-10-14(15)9-13-5-3-2-4-6-13/h2-5,7-8,11,13-15H,6,9-10H2,1H3
InChIKeyOCNCYQBVDSLETC-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-2-(ethoxymethyl)cyclopropyl]-5-methylpyridine
CID 129167431
cis-(1R,2R)-2-(5-methyl-2-pyridinyl)cyclohexan-1-ol
CID 97036881
2-methyl-5-(6-methylpyridazin-4-yl)-4-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 144632677
2-cyclohexyl-5-methylpyridine
CID 83382376
5-methyl-2-(oxetan-3-yl)pyridine
CID 147825882
1-(2-methylcyclopropyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 115698887
5-(4,4-dimethylcyclohexyl)-2-methyl-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 129167315
5-propylcyclohexa-1,3-diene
CID 13212987
ethylcyclohexane;2-methyl-4-[[(2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 144632679
5-methyl-2-(4-methylpyrrolidin-2-yl)pyridine
CID 3973446
1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129159916
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine?
The IUPAC name of 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine (CID 175879310) is 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine?
The canonical SMILES for 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine is Cc1ccc(C2CC2CC2C=CC=CC2)nc1.
What is the InChIKey of 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine?
The InChIKey is OCNCYQBVDSLETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-12-7-8-16(17-11-12)15-10-14(15)9-13-5-3-2-4-6-13/h2-5,7-8,11,13-15H,6,9-10H2,1H3.
What are the key properties of 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine?
2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine has a molecular weight of 225.34 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexa-2,4-dien-1-ylmethyl)cyclopropyl]-5-methylpyridine is sourced from PubChem (CID 175879310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).