N-(4-nitrophenyl)pyrrolidin-1-amine

C10H13N3O2 — CID 11333237

IUPACN-(4-nitrophenyl)pyrrolidin-1-amine
SMILESO=[N+]([O-])c1ccc(NN2CCCC2)cc1
InChIInChI=1S/C10H13N3O2/c14-13(15)10-5-3-9(4-6-10)11-12-7-1-2-8-12/h3-6,11H,1-2,7-8H2
InChIKeyLNVOGYGJGWPOLH-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.02
Rot. Bonds3

About N-(4-nitrophenyl)pyrrolidin-1-amine

N-(4-nitrophenyl)pyrrolidin-1-amine (PubChem CID 11333237) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(4-nitrophenyl)pyrrolidin-1-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)pyrrolidin-1-amine
PubChem CID11333237
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(4-nitrophenyl)pyrrolidin-1-amine
SMILESO=[N+]([O-])c1ccc(NN2CCCC2)cc1
InChIInChI=1S/C10H13N3O2/c14-13(15)10-5-3-9(4-6-10)11-12-7-1-2-8-12/h3-6,11H,1-2,7-8H2
InChIKeyLNVOGYGJGWPOLH-UHFFFAOYSA-N
XLogP2.02
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)pyrrolidin-1-amine?
The IUPAC name of N-(4-nitrophenyl)pyrrolidin-1-amine (CID 11333237) is N-(4-nitrophenyl)pyrrolidin-1-amine.
What is the SMILES notation for N-(4-nitrophenyl)pyrrolidin-1-amine?
The canonical SMILES for N-(4-nitrophenyl)pyrrolidin-1-amine is O=[N+]([O-])c1ccc(NN2CCCC2)cc1.
What is the InChIKey of N-(4-nitrophenyl)pyrrolidin-1-amine?
The InChIKey is LNVOGYGJGWPOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-13(15)10-5-3-9(4-6-10)11-12-7-1-2-8-12/h3-6,11H,1-2,7-8H2.
What are the key properties of N-(4-nitrophenyl)pyrrolidin-1-amine?
N-(4-nitrophenyl)pyrrolidin-1-amine has a molecular weight of 207.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)pyrrolidin-1-amine is sourced from PubChem (CID 11333237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).