1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene

C11H13N3O — CID 169461658

IUPAC1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C=CCN=[N+]=[N-])cc1
InChIInChI=1S/C11H13N3O/c1-15-9-11-6-4-10(5-7-11)3-2-8-13-14-12/h2-7H,8-9H2,1H3
InChIKeyCXFAVDVXVAZWGA-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene

1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene (PubChem CID 169461658) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene
PubChem CID169461658
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C=CCN=[N+]=[N-])cc1
InChIInChI=1S/C11H13N3O/c1-15-9-11-6-4-10(5-7-11)3-2-8-13-14-12/h2-7H,8-9H2,1H3
InChIKeyCXFAVDVXVAZWGA-UHFFFAOYSA-N
XLogP3.16
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
CID 169461946
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
1-[4-(3-azidoprop-1-enyl)phenyl]-2-methylpropan-1-one
CID 169462265
1-(3-azidoprop-1-enyl)-4-prop-2-ynoxybenzene
CID 169462944
4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
CID 169462173
2-[4-(3-azidoprop-1-enyl)-N-methylanilino]ethanol
CID 169462877

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene (CID 169461658) is 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene is COCc1ccc(C=CCN=[N+]=[N-])cc1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene?
The InChIKey is CXFAVDVXVAZWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-9-11-6-4-10(5-7-11)3-2-8-13-14-12/h2-7H,8-9H2,1H3.
What are the key properties of 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene?
1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene has a molecular weight of 203.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidoprop-1-enyl)-4-(methoxymethyl)benzene is sourced from PubChem (CID 169461658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).