3-hydroxycyclobutane-1-carbonitrile

C5H7NO — CID 22408685

IUPAC3-hydroxycyclobutane-1-carbonitrile
SMILESN#CC1CC(O)C1
InChIInChI=1S/C5H7NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-2H2
InChIKeyMMJQJSQOTGZCHX-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.28
Rot. Bonds

About 3-hydroxycyclobutane-1-carbonitrile

3-hydroxycyclobutane-1-carbonitrile (PubChem CID 22408685) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-hydroxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-hydroxycyclobutane-1-carbonitrile
PubChem CID22408685
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-hydroxycyclobutane-1-carbonitrile
SMILESN#CC1CC(O)C1
InChIInChI=1S/C5H7NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-2H2
InChIKeyMMJQJSQOTGZCHX-UHFFFAOYSA-N
XLogP0.28
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxycyclobutane-1-carbonitrile?
The IUPAC name of 3-hydroxycyclobutane-1-carbonitrile (CID 22408685) is 3-hydroxycyclobutane-1-carbonitrile.
What is the SMILES notation for 3-hydroxycyclobutane-1-carbonitrile?
The canonical SMILES for 3-hydroxycyclobutane-1-carbonitrile is N#CC1CC(O)C1.
What is the InChIKey of 3-hydroxycyclobutane-1-carbonitrile?
The InChIKey is MMJQJSQOTGZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-3-4-1-5(7)2-4/h4-5,7H,1-2H2.
What are the key properties of 3-hydroxycyclobutane-1-carbonitrile?
3-hydroxycyclobutane-1-carbonitrile has a molecular weight of 97.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxycyclobutane-1-carbonitrile is sourced from PubChem (CID 22408685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).