1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene

C15H19N3O — CID 10539088

IUPAC1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C/C2CCCC2)CN=[N+]=[N-])cc1
InChIInChI=1S/C15H19N3O/c1-19-15-8-6-13(7-9-15)14(11-17-18-16)10-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3/b14-10+
InChIKeyDGFIRBFLLCVLAM-GXDHUFHOSA-N
MW257.34 g/mol
LogP4.58
Rot. Bonds5

About 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene

1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene (PubChem CID 10539088) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene
PubChem CID10539088
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(=C/C2CCCC2)CN=[N+]=[N-])cc1
InChIInChI=1S/C15H19N3O/c1-19-15-8-6-13(7-9-15)14(11-17-18-16)10-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3/b14-10+
InChIKeyDGFIRBFLLCVLAM-GXDHUFHOSA-N
XLogP4.58
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.58
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-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 11120345
ethyl (Z)-4-azido-3-(4-methoxyphenyl)but-2-enoate
CID 102183878
1-[(Z)-4-azido-1-bromobut-2-en-2-yl]-4-methoxybenzene
CID 169084432
(4-methoxyphenyl) 2-azidoacetate
CID 154028305
3-azidopropyl 4-methoxybenzoate
CID 11447680
2-azido-1-(4-methoxy-2-methylphenyl)ethanone
CID 98883097
4-[(E)-2-cyclohexyl-1-(4-methoxyphenyl)ethenyl]-2-methylbenzonitrile
CID 134953964
[2-(bromomethyl)azepan-1-yl]-(4-methoxyphenyl)methanone
CID 116639403
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
1-(1-cyclohexylethenyl)-4-methoxybenzene
CID 122206167
1-(4-methoxyphenyl)-N-[2-(oxan-2-yloxy)ethoxy]ethanimine
CID 140553290
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene (CID 10539088) is 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene is COc1ccc(/C(=C/C2CCCC2)CN=[N+]=[N-])cc1.
What is the InChIKey of 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene?
The InChIKey is DGFIRBFLLCVLAM-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-15-8-6-13(7-9-15)14(11-17-18-16)10-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3/b14-10+.
What are the key properties of 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene?
1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene has a molecular weight of 257.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-azido-1-cyclopentylprop-1-en-2-yl]-4-methoxybenzene is sourced from PubChem (CID 10539088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).