4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine

C14H17N5O — CID 5377876

IUPAC4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine
SMILESCc1ccc(-n2nnnc2/C=C/N2CCOCC2)cc1
InChIInChI=1S/C14H17N5O/c1-12-2-4-13(5-3-12)19-14(15-16-17-19)6-7-18-8-10-20-11-9-18/h2-7H,8-11H2,1H3/b7-6+
InChIKeyUSSDAOFMPMJQAP-VOTSOKGWSA-N
MW271.32 g/mol
LogP1.27
Rot. Bonds3

About 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine

4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine (PubChem CID 5377876) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine
PubChem CID5377876
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine
SMILESCc1ccc(-n2nnnc2/C=C/N2CCOCC2)cc1
InChIInChI=1S/C14H17N5O/c1-12-2-4-13(5-3-12)19-14(15-16-17-19)6-7-18-8-10-20-11-9-18/h2-7H,8-11H2,1H3/b7-6+
InChIKeyUSSDAOFMPMJQAP-VOTSOKGWSA-N
XLogP1.27
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine?
The IUPAC name of 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine (CID 5377876) is 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine is Cc1ccc(-n2nnnc2/C=C/N2CCOCC2)cc1.
What is the InChIKey of 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine?
The InChIKey is USSDAOFMPMJQAP-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17N5O/c1-12-2-4-13(5-3-12)19-14(15-16-17-19)6-7-18-8-10-20-11-9-18/h2-7H,8-11H2,1H3/b7-6+.
What are the key properties of 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine?
4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine has a molecular weight of 271.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]morpholine is sourced from PubChem (CID 5377876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).