4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene

C10H10ClN3O — CID 140937046

IUPAC4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene
SMILESCOc1ccc(/C=C(/C)N=[N+]=[N-])cc1Cl
InChIInChI=1S/C10H10ClN3O/c1-7(13-14-12)5-8-3-4-10(15-2)9(11)6-8/h3-6H,1-2H3/b7-5-
InChIKeyIFYKTLCDAWDWHR-ALCCZGGFSA-N
MW223.66 g/mol
LogP4.02
Rot. Bonds3

About 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene

4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene (PubChem CID 140937046) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene
PubChem CID140937046
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene
SMILESCOc1ccc(/C=C(/C)N=[N+]=[N-])cc1Cl
InChIInChI=1S/C10H10ClN3O/c1-7(13-14-12)5-8-3-4-10(15-2)9(11)6-8/h3-6H,1-2H3/b7-5-
InChIKeyIFYKTLCDAWDWHR-ALCCZGGFSA-N
XLogP4.02
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene?
The IUPAC name of 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene (CID 140937046) is 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene is COc1ccc(/C=C(/C)N=[N+]=[N-])cc1Cl.
What is the InChIKey of 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene?
The InChIKey is IFYKTLCDAWDWHR-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-7(13-14-12)5-8-3-4-10(15-2)9(11)6-8/h3-6H,1-2H3/b7-5-.
What are the key properties of 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene?
4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene has a molecular weight of 223.66 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-azidoprop-1-enyl]-2-chloro-1-methoxybenzene is sourced from PubChem (CID 140937046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).