4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile

C14H22N2O2 — CID 102898020

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC2CCC3(CCCC3)O2)CCO1
InChIInChI=1S/C14H22N2O2/c15-9-13-11-16(7-8-17-13)10-12-3-6-14(18-12)4-1-2-5-14/h12-13H,1-8,10-11H2
InChIKeyQMEFJAABRBWBNJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.70
Rot. Bonds2

About 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile

4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile (PubChem CID 102898020) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile
PubChem CID102898020
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC2CCC3(CCCC3)O2)CCO1
InChIInChI=1S/C14H22N2O2/c15-9-13-11-16(7-8-17-13)10-12-3-6-14(18-12)4-1-2-5-14/h12-13H,1-8,10-11H2
InChIKeyQMEFJAABRBWBNJ-UHFFFAOYSA-N
XLogP1.70
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile (CID 102898020) is 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile is N#CC1CN(CC2CCC3(CCCC3)O2)CCO1.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile?
The InChIKey is QMEFJAABRBWBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-9-13-11-16(7-8-17-13)10-12-3-6-14(18-12)4-1-2-5-14/h12-13H,1-8,10-11H2.
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile?
4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile has a molecular weight of 250.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethyl)morpholine-2-carbonitrile is sourced from PubChem (CID 102898020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).