5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine

C14H20N2O — CID 90991499

IUPAC5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine
SMILESC=C(C)OC1CN(c2ccc(C(C)C)cn2)C1
InChIInChI=1S/C14H20N2O/c1-10(2)12-5-6-14(15-7-12)16-8-13(9-16)17-11(3)4/h5-7,10,13H,3,8-9H2,1-2,4H3
InChIKeyPCOSWZLOQQEAPM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.94
Rot. Bonds4

About 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine

5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine (PubChem CID 90991499) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine.

Molecular Properties

Compound Name5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine
PubChem CID90991499
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine
SMILESC=C(C)OC1CN(c2ccc(C(C)C)cn2)C1
InChIInChI=1S/C14H20N2O/c1-10(2)12-5-6-14(15-7-12)16-8-13(9-16)17-11(3)4/h5-7,10,13H,3,8-9H2,1-2,4H3
InChIKeyPCOSWZLOQQEAPM-UHFFFAOYSA-N
XLogP2.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625
2-[(3S)-3-methylpyrrolidin-1-yl]-5-propan-2-ylpyridine
CID 121288951
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
1-[1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-yl]azetidin-3-ol
CID 163566673
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
N-[(1S)-1-[4-[1-(5-propoxy-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]prop-1-en-2-amine
CID 121286629
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
3-methylidene-1-(5-propan-2-yl-2-pyridinyl)piperazine
CID 20811492
1-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]-1,3-diazinane-2,4-dione
CID 171799931
5-(5-propan-2-yl-2-pyridinyl)-8-oxa-2,5-diazabicyclo[5.1.0]octane
CID 155198546

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine?
The IUPAC name of 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine (CID 90991499) is 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine.
What is the SMILES notation for 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine?
The canonical SMILES for 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine is C=C(C)OC1CN(c2ccc(C(C)C)cn2)C1.
What is the InChIKey of 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine?
The InChIKey is PCOSWZLOQQEAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)12-5-6-14(15-7-12)16-8-13(9-16)17-11(3)4/h5-7,10,13H,3,8-9H2,1-2,4H3.
What are the key properties of 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine?
5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine has a molecular weight of 232.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(3-prop-1-en-2-yloxyazetidin-1-yl)pyridine is sourced from PubChem (CID 90991499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).