trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile

C5H7NO — CID 11768501

IUPACtrans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#C[C@H]1C[C@@H]1CO
InChIInChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4-5,7H,1,3H2/t4-,5-/m1/s1
InChIKeyYRFBEHLXLHSHMV-RFZPGFLSSA-N
MW97.12 g/mol
LogP0.14
Rot. Bonds1

About trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile

trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile (PubChem CID 11768501) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
PubChem CID11768501
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Nametrans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#C[C@H]1C[C@@H]1CO
InChIInChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4-5,7H,1,3H2/t4-,5-/m1/s1
InChIKeyYRFBEHLXLHSHMV-RFZPGFLSSA-N
XLogP0.14
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The IUPAC name of trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile (CID 11768501) is trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile is N#C[C@H]1C[C@@H]1CO.
What is the InChIKey of trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
The InChIKey is YRFBEHLXLHSHMV-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H7NO/c6-2-4-1-5(4)3-7/h4-5,7H,1,3H2/t4-,5-/m1/s1.
What are the key properties of trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile?
trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile has a molecular weight of 97.12 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(hydroxymethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 11768501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).