1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene

C10H10ClN3O — CID 151588086

IUPAC1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cccc1C=CCN=[N+]=[N-]
InChIInChI=1S/C10H10ClN3O/c1-15-10-8(4-2-6-9(10)11)5-3-7-13-14-12/h2-6H,7H2,1H3
InChIKeyQHXPRZLIEZWJAF-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene

1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene (PubChem CID 151588086) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
PubChem CID151588086
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cccc1C=CCN=[N+]=[N-]
InChIInChI=1S/C10H10ClN3O/c1-15-10-8(4-2-6-9(10)11)5-3-7-13-14-12/h2-6H,7H2,1H3
InChIKeyQHXPRZLIEZWJAF-UHFFFAOYSA-N
XLogP3.67
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.67
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

2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene
CID 173339850
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
3-(3-azidoprop-1-enyl)-6-methoxy-2-methylpyridine
CID 169461835
4-(3-azidoprop-1-enyl)-1H-indazole
CID 169461875
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
1-(3-azidoprop-1-enyl)-2-chloro-4-methoxy-5-nitrobenzene
CID 169462596

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene (CID 151588086) is 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene is COc1c(Cl)cccc1C=CCN=[N+]=[N-].
What is the InChIKey of 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene?
The InChIKey is QHXPRZLIEZWJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-15-10-8(4-2-6-9(10)11)5-3-7-13-14-12/h2-6H,7H2,1H3.
What are the key properties of 1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene?
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene has a molecular weight of 223.66 g/mol, XLogP of 3.67, 4 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)-3-chloro-2-methoxybenzene is sourced from PubChem (CID 151588086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).