2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile

C10H16N2O — CID 66291202

IUPAC2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CC[C@@H](O)C2)CC1
InChIInChI=1S/C10H16N2O/c11-5-4-10(2-3-10)8-12-6-1-9(13)7-12/h9,13H,1-4,6-8H2/t9-/m1/s1
InChIKeyYFUOHENDNMBOHX-SECBINFHSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds3

About 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 66291202) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID66291202
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CC[C@@H](O)C2)CC1
InChIInChI=1S/C10H16N2O/c11-5-4-10(2-3-10)8-12-6-1-9(13)7-12/h9,13H,1-4,6-8H2/t9-/m1/s1
InChIKeyYFUOHENDNMBOHX-SECBINFHSA-N
XLogP0.75
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495067
2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65496978
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]acetic acid
CID 65496326
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid
CID 81046821
2-[1-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]cyclopropyl]acetonitrile
CID 129269333
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65496329
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 107160820
1-[[3-(hydroxymethyl)oxan-3-yl]methyl]pyrrolidin-3-ol
CID 63746761
2-[1-[(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopropyl]acetonitrile
CID 114337888

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile (CID 66291202) is 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile is N#CCC1(CN2CC[C@@H](O)C2)CC1.
What is the InChIKey of 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is YFUOHENDNMBOHX-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O/c11-5-4-10(2-3-10)8-12-6-1-9(13)7-12/h9,13H,1-4,6-8H2/t9-/m1/s1.
What are the key properties of 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 180.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66291202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).