1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile

C18H20N2O — CID 138978246

IUPAC1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile
SMILESCC(C)(C)N1CC(Oc2c(C#N)ccc3ccccc23)C1
InChIInChI=1S/C18H20N2O/c1-18(2,3)20-11-15(12-20)21-17-14(10-19)9-8-13-6-4-5-7-16(13)17/h4-9,15H,11-12H2,1-3H3
InChIKeyDQJCTXNMBUSBHU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.57
Rot. Bonds2

About 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile

1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile (PubChem CID 138978246) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile
PubChem CID138978246
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile
SMILESCC(C)(C)N1CC(Oc2c(C#N)ccc3ccccc23)C1
InChIInChI=1S/C18H20N2O/c1-18(2,3)20-11-15(12-20)21-17-14(10-19)9-8-13-6-4-5-7-16(13)17/h4-9,15H,11-12H2,1-3H3
InChIKeyDQJCTXNMBUSBHU-UHFFFAOYSA-N
XLogP3.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-1-fluorosulfonyloxynaphthalene
CID 154879945
2-(1-tert-butylazetidin-3-yl)oxypyridine
CID 126954855
naphthalene-1-carbonitrile;sulfane
CID 175607355
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503
3-(2-methoxynaphthalen-1-yl)oxyazetidine
CID 15390703
phenanthrene-1,2-dicarbonitrile
CID 19041876
2-(4-methylcyclohexyl)oxynaphthalene-1-carbonitrile
CID 141397913
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]naphthalene-1-carbonitrile
CID 146320254
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
2-cyclopentyloxy-3,4-dimethoxybenzonitrile
CID 18470646
4-[4-(hydroxymethyl)-2-methylpyrrolidin-1-yl]naphthalene-1-carbonitrile
CID 68707389

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile?
The IUPAC name of 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile (CID 138978246) is 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile.
What is the SMILES notation for 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile?
The canonical SMILES for 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile is CC(C)(C)N1CC(Oc2c(C#N)ccc3ccccc23)C1.
What is the InChIKey of 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile?
The InChIKey is DQJCTXNMBUSBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)20-11-15(12-20)21-17-14(10-19)9-8-13-6-4-5-7-16(13)17/h4-9,15H,11-12H2,1-3H3.
What are the key properties of 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile?
1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylazetidin-3-yl)oxynaphthalene-2-carbonitrile is sourced from PubChem (CID 138978246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).