1-N-(4-nitrophenyl)cyclopropane-1,2-diamine

C9H11N3O2 — CID 43598872

IUPAC1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
SMILESNC1CC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11N3O2/c10-8-5-9(8)11-6-1-3-7(4-2-6)12(13)14/h1-4,8-9,11H,5,10H2
InChIKeyBAISOUPGNDTLFD-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.11
Rot. Bonds3

About 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine

1-N-(4-nitrophenyl)cyclopropane-1,2-diamine (PubChem CID 43598872) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
PubChem CID43598872
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
SMILESNC1CC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11N3O2/c10-8-5-9(8)11-6-1-3-7(4-2-6)12(13)14/h1-4,8-9,11H,5,10H2
InChIKeyBAISOUPGNDTLFD-UHFFFAOYSA-N
XLogP1.11
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
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

(3S,4R)-4-(4-nitroanilino)-1,1-dioxothiolan-3-ol
CID 18801486
1-N-(4-nitrophenyl)cyclohexane-1,3-diamine
CID 79459238
N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
CID 43598792
N-(2-aminocyclopropyl)-1-(4-nitrophenyl)methanesulfonamide
CID 43596906
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321658
N-(4-nitrophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 60660426
N-(4-nitrophenyl)oxan-4-amine
CID 43610359
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549
4-[(2-aminocyclopropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 43598794
N-bromo-4-nitroaniline
CID 54285277

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine?
The IUPAC name of 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine (CID 43598872) is 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine?
The canonical SMILES for 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine is NC1CC1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine?
The InChIKey is BAISOUPGNDTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c10-8-5-9(8)11-6-1-3-7(4-2-6)12(13)14/h1-4,8-9,11H,5,10H2.
What are the key properties of 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine?
1-N-(4-nitrophenyl)cyclopropane-1,2-diamine has a molecular weight of 193.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-nitrophenyl)cyclopropane-1,2-diamine is sourced from PubChem (CID 43598872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).