(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol

C10H11N3O — CID 101242056

IUPAC(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C(=C/CO)N=[N+]=[N-])cc1
InChIInChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)10(6-7-14)12-13-11/h2-6,14H,7H2,1H3/b10-6-
InChIKeySCAYGORUTPKADT-POHAHGRESA-N
MW189.22 g/mol
LogP2.64
Rot. Bonds3

About (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol

(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol (PubChem CID 101242056) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol
PubChem CID101242056
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCc1ccc(/C(=C/CO)N=[N+]=[N-])cc1
InChIInChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)10(6-7-14)12-13-11/h2-6,14H,7H2,1H3/b10-6-
InChIKeySCAYGORUTPKADT-POHAHGRESA-N
XLogP2.64
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol (CID 101242056) is (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol is Cc1ccc(/C(=C/CO)N=[N+]=[N-])cc1.
What is the InChIKey of (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol?
The InChIKey is SCAYGORUTPKADT-POHAHGRESA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-2-4-9(5-3-8)10(6-7-14)12-13-11/h2-6,14H,7H2,1H3/b10-6-.
What are the key properties of (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol?
(Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol has a molecular weight of 189.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-azido-3-(4-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 101242056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).