3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride

C6H11ClN2O — CID 170911425

IUPAC3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride
SMILESCl.N#CC1(CO)CCNC1
InChIInChI=1S/C6H10N2O.ClH/c7-3-6(5-9)1-2-8-4-6;/h8-9H,1-2,4-5H2;1H
InChIKeyZFSRERVPWKYREZ-UHFFFAOYSA-N
MW162.62 g/mol
LogP-0.10
Rot. Bonds1

About 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride

3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride (PubChem CID 170911425) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride
PubChem CID170911425
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride
SMILESCl.N#CC1(CO)CCNC1
InChIInChI=1S/C6H10N2O.ClH/c7-3-6(5-9)1-2-8-4-6;/h8-9H,1-2,4-5H2;1H
InChIKeyZFSRERVPWKYREZ-UHFFFAOYSA-N
XLogP-0.10
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride?
The IUPAC name of 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride (CID 170911425) is 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride?
The canonical SMILES for 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride is Cl.N#CC1(CO)CCNC1.
What is the InChIKey of 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride?
The InChIKey is ZFSRERVPWKYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c7-3-6(5-9)1-2-8-4-6;/h8-9H,1-2,4-5H2;1H.
What are the key properties of 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride?
3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)pyrrolidine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 170911425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).