chloro N-(1H-indol-2-yl)carbamate

C9H7ClN2O2 — CID 174677081

IUPACchloro N-(1H-indol-2-yl)carbamate
SMILESO=C(Nc1cc2ccccc2[nH]1)OCl
InChIInChI=1S/C9H7ClN2O2/c10-14-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H,12,13)
InChIKeyUSMYHWGXWIFTLB-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.87
Rot. Bonds1

About chloro N-(1H-indol-2-yl)carbamate

chloro N-(1H-indol-2-yl)carbamate (PubChem CID 174677081) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is chloro N-(1H-indol-2-yl)carbamate.

Molecular Properties

Compound Namechloro N-(1H-indol-2-yl)carbamate
PubChem CID174677081
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namechloro N-(1H-indol-2-yl)carbamate
SMILESO=C(Nc1cc2ccccc2[nH]1)OCl
InChIInChI=1S/C9H7ClN2O2/c10-14-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H,12,13)
InChIKeyUSMYHWGXWIFTLB-UHFFFAOYSA-N
XLogP2.87
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(1H-indol-2-yl)carbamate
CID 68950849
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
CID 151637556
chloro 1H-indole-2-carboxylate
CID 68813525
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
CID 150229412
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
1H-indole-2-carbothioic S-acid
CID 4713092
tert-butyl (2R)-2-(1H-indol-2-ylamino)-3-sulfanylpropanoate
CID 175695033
methyl (Z)-2-chloro-3-(1H-indol-2-yl)prop-2-enoate
CID 23544871
(E)-3-amino-N-(1H-indol-2-yl)-2-[1-(4-methylphenyl)prop-2-enylideneamino]but-2-enamide
CID 135270078

Frequently Asked Questions

What is the IUPAC name of chloro N-(1H-indol-2-yl)carbamate?
The IUPAC name of chloro N-(1H-indol-2-yl)carbamate (CID 174677081) is chloro N-(1H-indol-2-yl)carbamate.
What is the SMILES notation for chloro N-(1H-indol-2-yl)carbamate?
The canonical SMILES for chloro N-(1H-indol-2-yl)carbamate is O=C(Nc1cc2ccccc2[nH]1)OCl.
What is the InChIKey of chloro N-(1H-indol-2-yl)carbamate?
The InChIKey is USMYHWGXWIFTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-14-9(13)12-8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H,12,13).
What are the key properties of chloro N-(1H-indol-2-yl)carbamate?
chloro N-(1H-indol-2-yl)carbamate has a molecular weight of 210.62 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro N-(1H-indol-2-yl)carbamate is sourced from PubChem (CID 174677081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).