9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole

C17H17NO2 — CID 5084253

IUPAC9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCOCC1CO1
InChIInChI=1S/C17H17NO2/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)18(16)9-10-19-11-13-12-20-13/h1-8,13H,9-12H2
InChIKeyPOHKSKVXKVFBTN-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.21
Rot. Bonds5

About 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole

9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole (PubChem CID 5084253) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole.

Molecular Properties

Compound Name9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole
PubChem CID5084253
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2CCOCC1CO1
InChIInChI=1S/C17H17NO2/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)18(16)9-10-19-11-13-12-20-13/h1-8,13H,9-12H2
InChIKeyPOHKSKVXKVFBTN-UHFFFAOYSA-N
XLogP3.21
TPSA26.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-Vinylcarbazole
CID 15143
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
9H-Carbazole-9-methanol
CID 75480
N-ethyl carbazole
CID 6836
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-phenylmethanesulfonamide
CID 2879611
9-(Morpholinomethyl)carbazole
CID 1713692
N-Butylcarbazole
CID 73872
9-Propyl-9H-carbazole
CID 289657
9-[(4-Methyl-1,3-dioxolan-2-yl)methyl]carbazole
CID 3769030
9-[(4,4-dimethyl-1,3-dioxolan-2-yl)methyl]-9H-carbazole
CID 3849285
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-methylmethanesulfonamide
CID 2947704

Frequently Asked Questions

What is the IUPAC name of 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole?
The IUPAC name of 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole (CID 5084253) is 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole.
What is the SMILES notation for 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole?
The canonical SMILES for 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole is c1ccc2c(c1)c1ccccc1n2CCOCC1CO1.
What is the InChIKey of 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole?
The InChIKey is POHKSKVXKVFBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-3-7-16-14(5-1)15-6-2-4-8-17(15)18(16)9-10-19-11-13-12-20-13/h1-8,13H,9-12H2.
What are the key properties of 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole?
9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole has a molecular weight of 267.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(oxiran-2-ylmethoxy)ethyl]carbazole is sourced from PubChem (CID 5084253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).