1-(5-nitronaphthalen-1-yl)pyrrolidine

C14H14N2O2 — CID 168514332

IUPAC1-(5-nitronaphthalen-1-yl)pyrrolidine
SMILESO=[N+]([O-])c1cccc2c(N3CCCC3)cccc12
InChIInChI=1S/C14H14N2O2/c17-16(18)14-8-4-5-11-12(14)6-3-7-13(11)15-9-1-2-10-15/h3-8H,1-2,9-10H2
InChIKeyFPSGXPWPZAUJID-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.35
Rot. Bonds2

About 1-(5-nitronaphthalen-1-yl)pyrrolidine

1-(5-nitronaphthalen-1-yl)pyrrolidine (PubChem CID 168514332) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(5-nitronaphthalen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-nitronaphthalen-1-yl)pyrrolidine
PubChem CID168514332
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(5-nitronaphthalen-1-yl)pyrrolidine
SMILESO=[N+]([O-])c1cccc2c(N3CCCC3)cccc12
InChIInChI=1S/C14H14N2O2/c17-16(18)14-8-4-5-11-12(14)6-3-7-13(11)15-9-1-2-10-15/h3-8H,1-2,9-10H2
InChIKeyFPSGXPWPZAUJID-UHFFFAOYSA-N
XLogP3.35
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4,8-dinitronaphthalen-1-yl)pyrrolidine
CID 71413461
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
1-(4,5,7-trinitronaphthalen-1-yl)pyrrolidine
CID 71413462
1-(5-bromo-4-methyl-2-nitrophenyl)pyrrolidine
CID 139034981
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
1-phenanthren-1-ylpyrrolidine
CID 138533599
1-(2-chloro-3-nitrophenyl)piperazine
CID 20644619
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitronaphthalen-1-yl)pyrrolidine?
The IUPAC name of 1-(5-nitronaphthalen-1-yl)pyrrolidine (CID 168514332) is 1-(5-nitronaphthalen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(5-nitronaphthalen-1-yl)pyrrolidine?
The canonical SMILES for 1-(5-nitronaphthalen-1-yl)pyrrolidine is O=[N+]([O-])c1cccc2c(N3CCCC3)cccc12.
What is the InChIKey of 1-(5-nitronaphthalen-1-yl)pyrrolidine?
The InChIKey is FPSGXPWPZAUJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-16(18)14-8-4-5-11-12(14)6-3-7-13(11)15-9-1-2-10-15/h3-8H,1-2,9-10H2.
What are the key properties of 1-(5-nitronaphthalen-1-yl)pyrrolidine?
1-(5-nitronaphthalen-1-yl)pyrrolidine has a molecular weight of 242.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitronaphthalen-1-yl)pyrrolidine is sourced from PubChem (CID 168514332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).