2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine

C12H17NO — CID 171723528

IUPAC2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine
SMILESC=Cc1cc(C(C)C)c(COC)cn1
InChIInChI=1S/C12H17NO/c1-5-11-6-12(9(2)3)10(7-13-11)8-14-4/h5-7,9H,1,8H2,2-4H3
InChIKeyNVGUUEKMNFZLRX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.99
Rot. Bonds4

About 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine

2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine (PubChem CID 171723528) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine
PubChem CID171723528
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine
SMILESC=Cc1cc(C(C)C)c(COC)cn1
InChIInChI=1S/C12H17NO/c1-5-11-6-12(9(2)3)10(7-13-11)8-14-4/h5-7,9H,1,8H2,2-4H3
InChIKeyNVGUUEKMNFZLRX-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(6-ethenyl-4-propan-2-yl-3-pyridinyl)methyl]morpholine
CID 171723358
2-ethenyl-5-ethyl-4-methylpyridine
CID 45079614
2,4-bis(methoxymethyl)-6-propan-2-ylphenol
CID 141487661
(6-ethenyl-4-methyl-3-pyridinyl)methanol
CID 171542080
4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene
CID 146408442
1-ethenyl-4-methoxy-2-propan-2-ylbenzene
CID 22712642
5-[(3,3-difluoroazetidin-1-yl)methyl]-2-ethenyl-4-methylpyridine;ethane
CID 171542363
5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine
CID 159929279
2-ethenyl-5-(methoxymethoxy)pyridine
CID 58571048
1-[5-methoxy-2-(methoxymethyl)phenyl]ethanol
CID 117286314
1-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-5-methylphenyl]ethanol
CID 66188562
5-(methoxymethyl)-2,4-dimethylpyrimidine
CID 54133369

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine?
The IUPAC name of 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine (CID 171723528) is 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine.
What is the SMILES notation for 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine?
The canonical SMILES for 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine is C=Cc1cc(C(C)C)c(COC)cn1.
What is the InChIKey of 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine?
The InChIKey is NVGUUEKMNFZLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-11-6-12(9(2)3)10(7-13-11)8-14-4/h5-7,9H,1,8H2,2-4H3.
What are the key properties of 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine?
2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine has a molecular weight of 191.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(methoxymethyl)-4-propan-2-ylpyridine is sourced from PubChem (CID 171723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).