ethane;1-(2-nitrosoethyl)pyrrolidine

C8H18N2O — CID 145070356

IUPACethane;1-(2-nitrosoethyl)pyrrolidine
SMILESCC.O=NCCN1CCCC1
InChIInChI=1S/C6H12N2O.C2H6/c9-7-3-6-8-4-1-2-5-8;1-2/h1-6H2;1-2H3
InChIKeyJODPXKVFGPRREX-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.87
Rot. Bonds3

About ethane;1-(2-nitrosoethyl)pyrrolidine

ethane;1-(2-nitrosoethyl)pyrrolidine (PubChem CID 145070356) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is ethane;1-(2-nitrosoethyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-(2-nitrosoethyl)pyrrolidine
PubChem CID145070356
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Nameethane;1-(2-nitrosoethyl)pyrrolidine
SMILESCC.O=NCCN1CCCC1
InChIInChI=1S/C6H12N2O.C2H6/c9-7-3-6-8-4-1-2-5-8;1-2/h1-6H2;1-2H3
InChIKeyJODPXKVFGPRREX-UHFFFAOYSA-N
XLogP1.87
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-nitrosoethyl)pyrrolidine?
The IUPAC name of ethane;1-(2-nitrosoethyl)pyrrolidine (CID 145070356) is ethane;1-(2-nitrosoethyl)pyrrolidine.
What is the SMILES notation for ethane;1-(2-nitrosoethyl)pyrrolidine?
The canonical SMILES for ethane;1-(2-nitrosoethyl)pyrrolidine is CC.O=NCCN1CCCC1.
What is the InChIKey of ethane;1-(2-nitrosoethyl)pyrrolidine?
The InChIKey is JODPXKVFGPRREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c9-7-3-6-8-4-1-2-5-8;1-2/h1-6H2;1-2H3.
What are the key properties of ethane;1-(2-nitrosoethyl)pyrrolidine?
ethane;1-(2-nitrosoethyl)pyrrolidine has a molecular weight of 158.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-nitrosoethyl)pyrrolidine is sourced from PubChem (CID 145070356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).