3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile

C10H15NO2 — CID 65395209

IUPAC3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile
SMILESN#CC1(CC2CCCO2)CCOC1
InChIInChI=1S/C10H15NO2/c11-7-10(3-5-12-8-10)6-9-2-1-4-13-9/h9H,1-6,8H2
InChIKeyCQVUPHYSTFCACL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.49
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile

3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile (PubChem CID 65395209) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile
PubChem CID65395209
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile
SMILESN#CC1(CC2CCCO2)CCOC1
InChIInChI=1S/C10H15NO2/c11-7-10(3-5-12-8-10)6-9-2-1-4-13-9/h9H,1-6,8H2
InChIKeyCQVUPHYSTFCACL-UHFFFAOYSA-N
XLogP1.49
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile?
The IUPAC name of 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile (CID 65395209) is 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile?
The canonical SMILES for 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile is N#CC1(CC2CCCO2)CCOC1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile?
The InChIKey is CQVUPHYSTFCACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-7-10(3-5-12-8-10)6-9-2-1-4-13-9/h9H,1-6,8H2.
What are the key properties of 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile?
3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)oxolane-3-carbonitrile is sourced from PubChem (CID 65395209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).