ethane;1-(3-nitrosopropyl)pyrrolidine

C9H20N2O — CID 142532162

IUPACethane;1-(3-nitrosopropyl)pyrrolidine
SMILESCC.O=NCCCN1CCCC1
InChIInChI=1S/C7H14N2O.C2H6/c10-8-4-3-7-9-5-1-2-6-9;1-2/h1-7H2;1-2H3
InChIKeyRNIMFTWDJMBRMC-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.26
Rot. Bonds4

About ethane;1-(3-nitrosopropyl)pyrrolidine

ethane;1-(3-nitrosopropyl)pyrrolidine (PubChem CID 142532162) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;1-(3-nitrosopropyl)pyrrolidine.

Molecular Properties

Compound Nameethane;1-(3-nitrosopropyl)pyrrolidine
PubChem CID142532162
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;1-(3-nitrosopropyl)pyrrolidine
SMILESCC.O=NCCCN1CCCC1
InChIInChI=1S/C7H14N2O.C2H6/c10-8-4-3-7-9-5-1-2-6-9;1-2/h1-7H2;1-2H3
InChIKeyRNIMFTWDJMBRMC-UHFFFAOYSA-N
XLogP2.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Nitrosopropyl)pyrrolidine
CID 88720267
1-[2-(Nitrosomethyl)butyl]pyrrolidine
CID 89378111
N,N-diethyl-3-nitrosobutan-1-amine
CID 91317398
1-Methyl-3-(nitrosomethyl)pyrrolidine
CID 132240268
N-ethyl-4-nitroso-N-propylbutan-1-amine
CID 143337069
ethane;N-ethyl-N-methyl-4-nitrosobutan-1-amine
CID 143337116
Ethane;1-(2-nitrosoethyl)pyrrolidine
CID 145070356
N-butyl-4-nitroso-N-propylbutan-1-amine
CID 155298091
3-(Nitrosomethyl)-1-propan-2-ylpyrrolidine
CID 166891926
3-Methyl-1-(2-methylpropyl)-3-(nitrosomethyl)pyrrolidine
CID 170225385
N-methyl-N-[3-(pyrrolidin-1-yl)propyl]hydroxylamine
CID 165624547
Ethyl-dimethyl-(4-nitrosobutyl)azanium
CID 178081019

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-nitrosopropyl)pyrrolidine?
The IUPAC name of ethane;1-(3-nitrosopropyl)pyrrolidine (CID 142532162) is ethane;1-(3-nitrosopropyl)pyrrolidine.
What is the SMILES notation for ethane;1-(3-nitrosopropyl)pyrrolidine?
The canonical SMILES for ethane;1-(3-nitrosopropyl)pyrrolidine is CC.O=NCCCN1CCCC1.
What is the InChIKey of ethane;1-(3-nitrosopropyl)pyrrolidine?
The InChIKey is RNIMFTWDJMBRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c10-8-4-3-7-9-5-1-2-6-9;1-2/h1-7H2;1-2H3.
What are the key properties of ethane;1-(3-nitrosopropyl)pyrrolidine?
ethane;1-(3-nitrosopropyl)pyrrolidine has a molecular weight of 172.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-nitrosopropyl)pyrrolidine is sourced from PubChem (CID 142532162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).