2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile

C7H13N3 — CID 94342020

IUPAC2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
SMILESN#CCN1CC[C@H](CN)C1
InChIInChI=1S/C7H13N3/c8-2-4-10-3-1-7(5-9)6-10/h7H,1,3-6,9H2/t7-/m1/s1
InChIKeyYJGPXQPUYAAKRH-SSDOTTSWSA-N
MW139.20 g/mol
LogP-0.21
Rot. Bonds2

About 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile

2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile (PubChem CID 94342020) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
PubChem CID94342020
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
SMILESN#CCN1CC[C@H](CN)C1
InChIInChI=1S/C7H13N3/c8-2-4-10-3-1-7(5-9)6-10/h7H,1,3-6,9H2/t7-/m1/s1
InChIKeyYJGPXQPUYAAKRH-SSDOTTSWSA-N
XLogP-0.21
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile?
The IUPAC name of 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile (CID 94342020) is 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile?
The canonical SMILES for 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile is N#CCN1CC[C@H](CN)C1.
What is the InChIKey of 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile?
The InChIKey is YJGPXQPUYAAKRH-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13N3/c8-2-4-10-3-1-7(5-9)6-10/h7H,1,3-6,9H2/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile?
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile has a molecular weight of 139.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile is sourced from PubChem (CID 94342020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).