1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile

C11H16N2O2 — CID 112706285

IUPAC1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CO)C2)CCC1
InChIInChI=1S/C11H16N2O2/c12-8-11(3-1-4-11)10(15)13-5-2-9(6-13)7-14/h9,14H,1-7H2
InChIKeyCMKOHVLZNXOCCK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.52
Rot. Bonds2

About 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile

1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 112706285) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID112706285
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CO)C2)CCC1
InChIInChI=1S/C11H16N2O2/c12-8-11(3-1-4-11)10(15)13-5-2-9(6-13)7-14/h9,14H,1-7H2
InChIKeyCMKOHVLZNXOCCK-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile (CID 112706285) is 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCC(CO)C2)CCC1.
What is the InChIKey of 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is CMKOHVLZNXOCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-8-11(3-1-4-11)10(15)13-5-2-9(6-13)7-14/h9,14H,1-7H2.
What are the key properties of 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 112706285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).