(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride

C11H16ClN3O2 — CID 119905304

IUPAC(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H15N3O2.ClH/c12-10-5-6-13(8-10)7-9-3-1-2-4-11(9)14(15)16;/h1-4,10H,5-8,12H2;1H/t10-;/m1./s1
InChIKeyJUDNMUKFWZIVAS-HNCPQSOCSA-N
MW257.72 g/mol
LogP1.55
Rot. Bonds3

About (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905304) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905304
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H15N3O2.ClH/c12-10-5-6-13(8-10)7-9-3-1-2-4-11(9)14(15)16;/h1-4,10H,5-8,12H2;1H/t10-;/m1./s1
InChIKeyJUDNMUKFWZIVAS-HNCPQSOCSA-N
XLogP1.55
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.55
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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Related Compounds

1-[(2-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908068
1-[(2-nitrophenyl)methyl]piperidin-4-amine
CID 29009713
(3S)-1-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 81491890
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
1-[(5-chloro-2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917489
1-[(2-nitrophenyl)methyl]piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 67027571
1-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine;hydrochloride
CID 119908405
1-[(2-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 3450780
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119905304) is (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is JUDNMUKFWZIVAS-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15N3O2.ClH/c12-10-5-6-13(8-10)7-9-3-1-2-4-11(9)14(15)16;/h1-4,10H,5-8,12H2;1H/t10-;/m1./s1.
What are the key properties of (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).