3-(3-hydroxypropyl)oxolane-3-carbonitrile

Name: 3-(3-hydroxypropyl)oxolane-3-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₃NO₂ — CID 130513834

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(3-hydroxypropyl)oxolane-3-carbonitrile

SMILESN#CC1(CCCO)CCOC1

InChIInChI=1S/C8H13NO2/c9-6-8(2-1-4-10)3-5-11-7-8/h10H,1-5,7H2

InChIKeyWIAVSVXXVGOAGS-UHFFFAOYSA-N

MW155.20 g/mol

LogP0.69

Rot. Bonds3

About 3-(3-hydroxypropyl)oxolane-3-carbonitrile

3-(3-hydroxypropyl)oxolane-3-carbonitrile (PubChem CID 130513834) has the molecular formula C₈H₁₃NO₂ and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name	3-(3-hydroxypropyl)oxolane-3-carbonitrile
PubChem CID	130513834
Molecular Formula	C₈H₁₃NO₂
Molecular Weight	155.20 g/mol
Exact Mass	155.09
IUPAC Name	3-(3-hydroxypropyl)oxolane-3-carbonitrile
SMILES	N#CC1(CCCO)CCOC1
InChI	InChI=1S/C8H13NO2/c9-6-8(2-1-4-10)3-5-11-7-8/h10H,1-5,7H2
InChIKey	WIAVSVXXVGOAGS-UHFFFAOYSA-N
XLogP	0.69
TPSA	53.25 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	155.20
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)oxolane-3-carbonitrile?

The IUPAC name of 3-(3-hydroxypropyl)oxolane-3-carbonitrile (CID 130513834) is 3-(3-hydroxypropyl)oxolane-3-carbonitrile.

What is the SMILES notation for 3-(3-hydroxypropyl)oxolane-3-carbonitrile?

The canonical SMILES for 3-(3-hydroxypropyl)oxolane-3-carbonitrile is N#CC1(CCCO)CCOC1.

What is the InChIKey of 3-(3-hydroxypropyl)oxolane-3-carbonitrile?

The InChIKey is WIAVSVXXVGOAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-6-8(2-1-4-10)3-5-11-7-8/h10H,1-5,7H2.

What are the key properties of 3-(3-hydroxypropyl)oxolane-3-carbonitrile?

3-(3-hydroxypropyl)oxolane-3-carbonitrile has a molecular weight of 155.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-hydroxypropyl)oxolane-3-carbonitrile is sourced from PubChem (CID 130513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130513834 — identifiers, structure, computed properties (public domain)

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