4-(3-azidoprop-1-enyl)-2-methoxyaniline

C10H12N4O — CID 169461847

IUPAC4-(3-azidoprop-1-enyl)-2-methoxyaniline
SMILESCOc1cc(C=CCN=[N+]=[N-])ccc1N
InChIInChI=1S/C10H12N4O/c1-15-10-7-8(4-5-9(10)11)3-2-6-13-14-12/h2-5,7H,6,11H2,1H3
InChIKeyDMGHXYNYWBHDCB-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.60
Rot. Bonds4

About 4-(3-azidoprop-1-enyl)-2-methoxyaniline

4-(3-azidoprop-1-enyl)-2-methoxyaniline (PubChem CID 169461847) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2-methoxyaniline
PubChem CID169461847
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(3-azidoprop-1-enyl)-2-methoxyaniline
SMILESCOc1cc(C=CCN=[N+]=[N-])ccc1N
InChIInChI=1S/C10H12N4O/c1-15-10-7-8(4-5-9(10)11)3-2-6-13-14-12/h2-5,7H,6,11H2,1H3
InChIKeyDMGHXYNYWBHDCB-UHFFFAOYSA-N
XLogP2.60
TPSA84.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
CID 169462173
4-[(E)-but-1-enyl]-2-methoxyaniline
CID 170101265
2-[5-(3-azidoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169462549
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
5-(3-azidoprop-1-enyl)-2-(trifluoromethoxy)aniline
CID 169462590
[4-(3-azidoprop-1-enyl)-2,6-dimethoxyphenyl] acetate
CID 169462842
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene
CID 169461658
4-(3-azidoprop-1-enyl)-3-methoxybenzonitrile
CID 169462928
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2-methoxyaniline?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2-methoxyaniline (CID 169461847) is 4-(3-azidoprop-1-enyl)-2-methoxyaniline.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2-methoxyaniline?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2-methoxyaniline is COc1cc(C=CCN=[N+]=[N-])ccc1N.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2-methoxyaniline?
The InChIKey is DMGHXYNYWBHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-15-10-7-8(4-5-9(10)11)3-2-6-13-14-12/h2-5,7H,6,11H2,1H3.
What are the key properties of 4-(3-azidoprop-1-enyl)-2-methoxyaniline?
4-(3-azidoprop-1-enyl)-2-methoxyaniline has a molecular weight of 204.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2-methoxyaniline is sourced from PubChem (CID 169461847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).