2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile

C7H12N2O — CID 118498498

IUPAC2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
SMILESCO[C@H]1CN[C@@H](CC#N)C1
InChIInChI=1S/C7H12N2O/c1-10-7-4-6(2-3-8)9-5-7/h6-7,9H,2,4-5H2,1H3/t6-,7+/m0/s1
InChIKeyUZYZHRDZWDSLQO-NKWVEPMBSA-N
MW140.19 g/mol
LogP0.28
Rot. Bonds2

About 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile

2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile (PubChem CID 118498498) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
PubChem CID118498498
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
SMILESCO[C@H]1CN[C@@H](CC#N)C1
InChIInChI=1S/C7H12N2O/c1-10-7-4-6(2-3-8)9-5-7/h6-7,9H,2,4-5H2,1H3/t6-,7+/m0/s1
InChIKeyUZYZHRDZWDSLQO-NKWVEPMBSA-N
XLogP0.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
2-[(4S)-4-methylpyrrolidin-2-yl]acetonitrile
CID 170704101
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
N-[(4-methoxypyrrolidin-2-yl)methyl]-N-propylpropan-1-amine
CID 61215107
4-[(4-methoxypyrrolidin-2-yl)methyl]-2,2,6,6-tetramethylmorpholine
CID 102744375
N-[(4-methoxypyrrolidin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 61214971
ethyl 2-[(2R,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300329
ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile?
The IUPAC name of 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile (CID 118498498) is 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile is CO[C@H]1CN[C@@H](CC#N)C1.
What is the InChIKey of 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile?
The InChIKey is UZYZHRDZWDSLQO-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H12N2O/c1-10-7-4-6(2-3-8)9-5-7/h6-7,9H,2,4-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile?
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile is sourced from PubChem (CID 118498498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).