4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene

C10H10ClN3O — CID 169461630

IUPAC4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
SMILESCOc1cc(C=CCN=[N+]=[N-])ccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-15-10-7-8(4-5-9(10)11)3-2-6-13-14-12/h2-5,7H,6H2,1H3
InChIKeyKKIPZNXNHTXDLS-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.67
Rot. Bonds4

About 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene

4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene (PubChem CID 169461630) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
PubChem CID169461630
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
SMILESCOc1cc(C=CCN=[N+]=[N-])ccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-15-10-7-8(4-5-9(10)11)3-2-6-13-14-12/h2-5,7H,6H2,1H3
InChIKeyKKIPZNXNHTXDLS-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

4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
CID 169462173
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
2-[5-(3-azidoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169462549
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
(E)-3-(4-chloro-3-methoxyphenyl)prop-2-en-1-ol
CID 130131205
S-[3-(4-chloro-3-methoxyphenyl)prop-2-enyl] ethanethioate
CID 169457080
1-chloro-4-(4-chlorobut-1-enyl)-2-methoxybenzene
CID 79698072
[4-(3-azidoprop-1-enyl)-2,6-dimethoxyphenyl] acetate
CID 169462842
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
1-(3-azidoprop-1-enyl)-2-chloro-4-methoxy-5-nitrobenzene
CID 169462596
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene?
The IUPAC name of 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene (CID 169461630) is 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene is COc1cc(C=CCN=[N+]=[N-])ccc1Cl.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene?
The InChIKey is KKIPZNXNHTXDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-15-10-7-8(4-5-9(10)11)3-2-6-13-14-12/h2-5,7H,6H2,1H3.
What are the key properties of 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene?
4-(3-azidoprop-1-enyl)-1-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 4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene is sourced from PubChem (CID 169461630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).