1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

C11H16N2O2 — CID 114797594

IUPAC1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCO)C2)CC1
InChIInChI=1S/C11H16N2O2/c12-8-11(3-4-11)10(15)13-5-1-9(7-13)2-6-14/h9,14H,1-7H2
InChIKeyUNUGEQDLHXZKKH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.52
Rot. Bonds3

About 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 114797594) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID114797594
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCO)C2)CC1
InChIInChI=1S/C11H16N2O2/c12-8-11(3-4-11)10(15)13-5-1-9(7-13)2-6-14/h9,14H,1-7H2
InChIKeyUNUGEQDLHXZKKH-UHFFFAOYSA-N
XLogP0.52
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114797597
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(3-azabicyclo[3.2.0]heptane-3-carbonyl)cyclopropane-1-carbonitrile
CID 164651159
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
ethane;1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carbonitrile
CID 144937315
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-2-yn-1-one
CID 107989683
methyl N-[1-(1-cyanocyclopropanecarbonyl)pyrrolidin-3-yl]carbamate
CID 113402275
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
CID 114797595
4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile
CID 63516325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 114797594) is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCC(CCO)C2)CC1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is UNUGEQDLHXZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-8-11(3-4-11)10(15)13-5-1-9(7-13)2-6-14/h9,14H,1-7H2.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 114797594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).