N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine

C11H13IN2O3 — CID 103873043

IUPACN-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1ccc([N+](=O)[O-])c(I)c1
InChIInChI=1S/C11H13IN2O3/c1-7-10(4-5-17-7)13-8-2-3-11(14(15)16)9(12)6-8/h2-3,6-7,10,13H,4-5H2,1H3
InChIKeyPRPRMLFAFRBCDY-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.79
Rot. Bonds3

About N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine

N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine (PubChem CID 103873043) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine
PubChem CID103873043
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC NameN-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1ccc([N+](=O)[O-])c(I)c1
InChIInChI=1S/C11H13IN2O3/c1-7-10(4-5-17-7)13-8-2-3-11(14(15)16)9(12)6-8/h2-3,6-7,10,13H,4-5H2,1H3
InChIKeyPRPRMLFAFRBCDY-UHFFFAOYSA-N
XLogP2.79
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-bromo-3-nitrophenyl)-2-methyloxolan-3-amine
CID 82718581
N-(3-iodo-4-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
CID 106493267
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
CID 82716607
N-(4-tert-butylphenyl)-3-iodo-4-nitroaniline
CID 106493911
3-iodo-N-(1-methylcyclopropyl)-4-nitroaniline
CID 106493352
(2S,3R)-N-(3-bromo-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358653
N-(2,6-difluoro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 103873049
N-(2-chloro-4-nitrophenyl)-2-methyloxolan-3-amine
CID 82727218
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine?
The IUPAC name of N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine (CID 103873043) is N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine.
What is the SMILES notation for N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine?
The canonical SMILES for N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine is CC1OCCC1Nc1ccc([N+](=O)[O-])c(I)c1.
What is the InChIKey of N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine?
The InChIKey is PRPRMLFAFRBCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-7-10(4-5-17-7)13-8-2-3-11(14(15)16)9(12)6-8/h2-3,6-7,10,13H,4-5H2,1H3.
What are the key properties of N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine?
N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine has a molecular weight of 348.14 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-nitrophenyl)-2-methyloxolan-3-amine is sourced from PubChem (CID 103873043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).