2-(3,4-diaminocarbazol-9-yl)ethanol

C14H15N3O — CID 68825203

IUPAC2-(3,4-diaminocarbazol-9-yl)ethanol
SMILESNc1ccc2c(c1N)c1ccccc1n2CCO
InChIInChI=1S/C14H15N3O/c15-10-5-6-12-13(14(10)16)9-3-1-2-4-11(9)17(12)7-8-18/h1-6,18H,7-8,15-16H2
InChIKeyDVUHKDFAXXSZHE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.95
Rot. Bonds2

About 2-(3,4-diaminocarbazol-9-yl)ethanol

2-(3,4-diaminocarbazol-9-yl)ethanol (PubChem CID 68825203) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3,4-diaminocarbazol-9-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-diaminocarbazol-9-yl)ethanol
PubChem CID68825203
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(3,4-diaminocarbazol-9-yl)ethanol
SMILESNc1ccc2c(c1N)c1ccccc1n2CCO
InChIInChI=1S/C14H15N3O/c15-10-5-6-12-13(14(10)16)9-3-1-2-4-11(9)17(12)7-8-18/h1-6,18H,7-8,15-16H2
InChIKeyDVUHKDFAXXSZHE-UHFFFAOYSA-N
XLogP1.95
TPSA77.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diaminocarbazol-9-yl)ethanol?
The IUPAC name of 2-(3,4-diaminocarbazol-9-yl)ethanol (CID 68825203) is 2-(3,4-diaminocarbazol-9-yl)ethanol.
What is the SMILES notation for 2-(3,4-diaminocarbazol-9-yl)ethanol?
The canonical SMILES for 2-(3,4-diaminocarbazol-9-yl)ethanol is Nc1ccc2c(c1N)c1ccccc1n2CCO.
What is the InChIKey of 2-(3,4-diaminocarbazol-9-yl)ethanol?
The InChIKey is DVUHKDFAXXSZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-10-5-6-12-13(14(10)16)9-3-1-2-4-11(9)17(12)7-8-18/h1-6,18H,7-8,15-16H2.
What are the key properties of 2-(3,4-diaminocarbazol-9-yl)ethanol?
2-(3,4-diaminocarbazol-9-yl)ethanol has a molecular weight of 241.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diaminocarbazol-9-yl)ethanol is sourced from PubChem (CID 68825203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).