3-nitro-9-(prop-2-enoxymethyl)carbazole

C16H14N2O3 — CID 12067576

IUPAC3-nitro-9-(prop-2-enoxymethyl)carbazole
SMILESC=CCOCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H14N2O3/c1-2-9-21-11-17-15-6-4-3-5-13(15)14-10-12(18(19)20)7-8-16(14)17/h2-8,10H,1,9,11H2
InChIKeyGLWACPYVHNDYBI-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.86
Rot. Bonds5

About 3-nitro-9-(prop-2-enoxymethyl)carbazole

3-nitro-9-(prop-2-enoxymethyl)carbazole (PubChem CID 12067576) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-nitro-9-(prop-2-enoxymethyl)carbazole.

Molecular Properties

Compound Name3-nitro-9-(prop-2-enoxymethyl)carbazole
PubChem CID12067576
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-nitro-9-(prop-2-enoxymethyl)carbazole
SMILESC=CCOCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C16H14N2O3/c1-2-9-21-11-17-15-6-4-3-5-13(15)14-10-12(18(19)20)7-8-16(14)17/h2-8,10H,1,9,11H2
InChIKeyGLWACPYVHNDYBI-UHFFFAOYSA-N
XLogP3.86
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-9-(prop-2-enoxymethyl)carbazole?
The IUPAC name of 3-nitro-9-(prop-2-enoxymethyl)carbazole (CID 12067576) is 3-nitro-9-(prop-2-enoxymethyl)carbazole.
What is the SMILES notation for 3-nitro-9-(prop-2-enoxymethyl)carbazole?
The canonical SMILES for 3-nitro-9-(prop-2-enoxymethyl)carbazole is C=CCOCn1c2ccccc2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-nitro-9-(prop-2-enoxymethyl)carbazole?
The InChIKey is GLWACPYVHNDYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-9-21-11-17-15-6-4-3-5-13(15)14-10-12(18(19)20)7-8-16(14)17/h2-8,10H,1,9,11H2.
What are the key properties of 3-nitro-9-(prop-2-enoxymethyl)carbazole?
3-nitro-9-(prop-2-enoxymethyl)carbazole has a molecular weight of 282.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-9-(prop-2-enoxymethyl)carbazole is sourced from PubChem (CID 12067576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).