(7-bromo-1H-indol-3-yl) carbamate

C9H7BrN2O2 — CID 175391103

IUPAC(7-bromo-1H-indol-3-yl) carbamate
SMILESNC(=O)Oc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C9H7BrN2O2/c10-6-3-1-2-5-7(14-9(11)13)4-12-8(5)6/h1-4,12H,(H2,11,13)
InChIKeyGIWWLMQONJBOOP-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.39
Rot. Bonds1

About (7-bromo-1H-indol-3-yl) carbamate

(7-bromo-1H-indol-3-yl) carbamate (PubChem CID 175391103) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is (7-bromo-1H-indol-3-yl) carbamate.

Molecular Properties

Compound Name(7-bromo-1H-indol-3-yl) carbamate
PubChem CID175391103
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name(7-bromo-1H-indol-3-yl) carbamate
SMILESNC(=O)Oc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C9H7BrN2O2/c10-6-3-1-2-5-7(14-9(11)13)4-12-8(5)6/h1-4,12H,(H2,11,13)
InChIKeyGIWWLMQONJBOOP-UHFFFAOYSA-N
XLogP2.39
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-1H-indol-3-yl) carbamate?
The IUPAC name of (7-bromo-1H-indol-3-yl) carbamate (CID 175391103) is (7-bromo-1H-indol-3-yl) carbamate.
What is the SMILES notation for (7-bromo-1H-indol-3-yl) carbamate?
The canonical SMILES for (7-bromo-1H-indol-3-yl) carbamate is NC(=O)Oc1c[nH]c2c(Br)cccc12.
What is the InChIKey of (7-bromo-1H-indol-3-yl) carbamate?
The InChIKey is GIWWLMQONJBOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c10-6-3-1-2-5-7(14-9(11)13)4-12-8(5)6/h1-4,12H,(H2,11,13).
What are the key properties of (7-bromo-1H-indol-3-yl) carbamate?
(7-bromo-1H-indol-3-yl) carbamate has a molecular weight of 255.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1H-indol-3-yl) carbamate is sourced from PubChem (CID 175391103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).