1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide

C17H18N2O2 — CID 163181667

IUPAC1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
SMILESCCn1c2ccccc2c2cc(C=C(C)[NH+]([O-])O)ccc21
InChIInChI=1S/C17H18N2O2/c1-3-18-16-7-5-4-6-14(16)15-11-13(8-9-17(15)18)10-12(2)19(20)21/h4-11,19-20H,3H2,1-2H3
InChIKeyZISTXQUSQWBYPY-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds3

About 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide

1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide (PubChem CID 163181667) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide.

Molecular Properties

Compound Name1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
PubChem CID163181667
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
SMILESCCn1c2ccccc2c2cc(C=C(C)[NH+]([O-])O)ccc21
InChIInChI=1S/C17H18N2O2/c1-3-18-16-7-5-4-6-14(16)15-11-13(8-9-17(15)18)10-12(2)19(20)21/h4-11,19-20H,3H2,1-2H3
InChIKeyZISTXQUSQWBYPY-UHFFFAOYSA-N
XLogP2.95
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
CID 79322615
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
(E)-2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enethioamide
CID 101167613
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
CID 88823200
9-ethyl-3-(2-nitroethenyl)carbazole
CID 134120826
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide?
The IUPAC name of 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide (CID 163181667) is 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide.
What is the SMILES notation for 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide?
The canonical SMILES for 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide is CCn1c2ccccc2c2cc(C=C(C)[NH+]([O-])O)ccc21.
What is the InChIKey of 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide?
The InChIKey is ZISTXQUSQWBYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-18-16-7-5-4-6-14(16)15-11-13(8-9-17(15)18)10-12(2)19(20)21/h4-11,19-20H,3H2,1-2H3.
What are the key properties of 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide?
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide has a molecular weight of 282.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide is sourced from PubChem (CID 163181667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).