N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine

C13H16ClN3O2 — CID 104835856

IUPACN-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine
SMILESO=[N+]([O-])c1c(Cl)cccc1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H16ClN3O2/c14-11-2-1-3-12(13(11)17(18)19)15-9-6-7-16(8-9)10-4-5-10/h1-3,9-10,15H,4-8H2
InChIKeyKLGZXXYESJTJQK-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.90
Rot. Bonds4

About N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine

N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine (PubChem CID 104835856) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine
PubChem CID104835856
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine
SMILESO=[N+]([O-])c1c(Cl)cccc1NC1CCN(C2CC2)C1
InChIInChI=1S/C13H16ClN3O2/c14-11-2-1-3-12(13(11)17(18)19)15-9-6-7-16(8-9)10-4-5-10/h1-3,9-10,15H,4-8H2
InChIKeyKLGZXXYESJTJQK-UHFFFAOYSA-N
XLogP2.90
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.90
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

N-(3-chloro-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 113458877
3-N-(1-cyclopropylpyrrolidin-3-yl)-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80792318
3-chloro-1-N-(1-cyclopropylpyrrolidin-3-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 62981650
N-(3-chloro-2-nitrophenyl)oxan-4-amine
CID 104835729
tert-butyl 4-(3-chloro-2-nitroanilino)piperidine-1-carboxylate
CID 130431417
1-cyclopropyl-N-(2-fluoro-6-nitrophenyl)pyrrolidin-3-amine
CID 81309720
1-(3-chloro-2-pyridinyl)-N-(3-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133414404
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-5-nitrobenzonitrile
CID 47807763
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
N-(1-cyclopropylpyrrolidin-3-yl)-4-nitro-1,3-benzoxazol-2-amine
CID 79883355
N-(3-chloro-2-nitrophenyl)-2,2-diethyloxan-4-amine
CID 104836068
N-(4-bromo-2,3-dichlorophenyl)-1-cyclopropylpyrrolidin-3-amine
CID 107788003

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine (CID 104835856) is N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine is O=[N+]([O-])c1c(Cl)cccc1NC1CCN(C2CC2)C1.
What is the InChIKey of N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is KLGZXXYESJTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-2-1-3-12(13(11)17(18)19)15-9-6-7-16(8-9)10-4-5-10/h1-3,9-10,15H,4-8H2.
What are the key properties of N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine?
N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 281.74 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-nitrophenyl)-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 104835856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).