1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene

C17H19N3O — CID 159596769

IUPAC1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene
SMILESCCCCOc1ccc(/C=C/CN=[N+]=[N-])c2ccccc12
InChIInChI=1S/C17H19N3O/c1-2-3-13-21-17-11-10-14(7-6-12-19-20-18)15-8-4-5-9-16(15)17/h4-11H,2-3,12-13H2,1H3/b7-6+
InChIKeyAKXVVEOMKYHKAY-VOTSOKGWSA-N
MW281.36 g/mol
LogP5.34
Rot. Bonds7

About 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene

1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene (PubChem CID 159596769) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene.

Molecular Properties

Compound Name1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene
PubChem CID159596769
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene
SMILESCCCCOc1ccc(/C=C/CN=[N+]=[N-])c2ccccc12
InChIInChI=1S/C17H19N3O/c1-2-3-13-21-17-11-10-14(7-6-12-19-20-18)15-8-4-5-9-16(15)17/h4-11H,2-3,12-13H2,1H3/b7-6+
InChIKeyAKXVVEOMKYHKAY-VOTSOKGWSA-N
XLogP5.34
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

1,4-dibutoxynaphthalene
CID 22016411
1,4-didodecoxynaphthalene
CID 21304164
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
1-butoxynaphthalene
CID 13262700
[4-[(E)-3-(2,3,4-trihexoxyphenyl)prop-2-enoyl]oxynaphthalen-1-yl] (E)-3-(2,3,4-trihexoxyphenyl)prop-2-enoate
CID 58914146
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
3-(3-azidoprop-1-enyl)-6-methoxy-2-methylpyridine
CID 169461835
3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
CID 169461874
2-(4-butoxynaphthalen-1-yl)benzotriazole
CID 59307512
(5Z)-5-[(4-decoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 59994086
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene?
The IUPAC name of 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene (CID 159596769) is 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene.
What is the SMILES notation for 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene?
The canonical SMILES for 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene is CCCCOc1ccc(/C=C/CN=[N+]=[N-])c2ccccc12.
What is the InChIKey of 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene?
The InChIKey is AKXVVEOMKYHKAY-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-3-13-21-17-11-10-14(7-6-12-19-20-18)15-8-4-5-9-16(15)17/h4-11H,2-3,12-13H2,1H3/b7-6+.
What are the key properties of 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene?
1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene has a molecular weight of 281.36 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene is sourced from PubChem (CID 159596769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).