1-(hydroxymethyl)cyclopropane-1-carbonitrile

C5H7NO — CID 22028207

IUPAC1-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CO)CC1
InChIInChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h7H,1-2,4H2
InChIKeyQMCQBAJOOAMKBX-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.28
Rot. Bonds1

About 1-(hydroxymethyl)cyclopropane-1-carbonitrile

1-(hydroxymethyl)cyclopropane-1-carbonitrile (PubChem CID 22028207) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 1-(hydroxymethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(hydroxymethyl)cyclopropane-1-carbonitrile
PubChem CID22028207
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name1-(hydroxymethyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CO)CC1
InChIInChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h7H,1-2,4H2
InChIKeyQMCQBAJOOAMKBX-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(hydroxymethyl)cyclopropane-1-carbonitrile (CID 22028207) is 1-(hydroxymethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(hydroxymethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(hydroxymethyl)cyclopropane-1-carbonitrile is N#CC1(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)cyclopropane-1-carbonitrile?
The InChIKey is QMCQBAJOOAMKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-3-5(4-7)1-2-5/h7H,1-2,4H2.
What are the key properties of 1-(hydroxymethyl)cyclopropane-1-carbonitrile?
1-(hydroxymethyl)cyclopropane-1-carbonitrile has a molecular weight of 97.12 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 22028207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).