3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline

C10H11IN2O2 — CID 106493352

IUPAC3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline
SMILESCC1(Nc2ccc([N+](=O)[O-])c(I)c2)CC1
InChIInChI=1S/C10H11IN2O2/c1-10(4-5-10)12-7-2-3-9(13(14)15)8(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyAVVRBXAUWQDYSM-UHFFFAOYSA-N
MW318.11 g/mol
LogP3.16
Rot. Bonds3

About 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline

3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline (PubChem CID 106493352) has the molecular formula C10H11IN2O2 and a molecular weight of 318.11 g/mol. Its IUPAC name is 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline.

Molecular Properties

Compound Name3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline
PubChem CID106493352
Molecular FormulaC10H11IN2O2
Molecular Weight318.11 g/mol
Exact Mass317.99
IUPAC Name3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline
SMILESCC1(Nc2ccc([N+](=O)[O-])c(I)c2)CC1
InChIInChI=1S/C10H11IN2O2/c1-10(4-5-10)12-7-2-3-9(13(14)15)8(11)6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyAVVRBXAUWQDYSM-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylcyclobutyl)-3-iodo-4-nitroaniline
CID 106493354
N-(1-methylcyclopropyl)-4-nitro-3-propoxyaniline
CID 113485591
3-iodo-N-[(4-methyloxan-4-yl)methyl]-4-nitroaniline
CID 113253052
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-iodo-4-nitroaniline
CID 112748888
N-(4-tert-butylphenyl)-3-iodo-4-nitroaniline
CID 106493911
4-bromo-N-(3-iodo-4-nitrophenyl)-3,5-dimethylaniline
CID 107576779
N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine
CID 103873043
1-(3-iodo-4-nitrophenyl)-3,3-dimethylpyrrolidine
CID 103704702
3-iodo-4-nitro-N-(1-phenylethyl)aniline
CID 106493116
N-(2,2-difluoroethyl)-3-iodo-4-nitroaniline
CID 103715303
3-iodo-N-(1-methoxybutan-2-yl)-4-nitroaniline
CID 106493264
N-(3-iodo-4-nitrophenyl)-2,3-dimethylaniline
CID 106493948

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline?
The IUPAC name of 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline (CID 106493352) is 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline.
What is the SMILES notation for 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline?
The canonical SMILES for 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline is CC1(Nc2ccc([N+](=O)[O-])c(I)c2)CC1.
What is the InChIKey of 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline?
The InChIKey is AVVRBXAUWQDYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O2/c1-10(4-5-10)12-7-2-3-9(13(14)15)8(11)6-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline?
3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline has a molecular weight of 318.11 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline is sourced from PubChem (CID 106493352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).