(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid

C10H10ClNO2 — CID 175811159

IUPAC(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid
SMILESO=C(O)Nc1cc2c(cc1Cl)CCC2
InChIInChI=1S/C10H10ClNO2/c11-8-4-6-2-1-3-7(6)5-9(8)12-10(13)14/h4-5,12H,1-3H2,(H,13,14)
InChIKeyBBVFVKFCETZTQU-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.92
Rot. Bonds1

About (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid

(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid (PubChem CID 175811159) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid
PubChem CID175811159
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid
SMILESO=C(O)Nc1cc2c(cc1Cl)CCC2
InChIInChI=1S/C10H10ClNO2/c11-8-4-6-2-1-3-7(6)5-9(8)12-10(13)14/h4-5,12H,1-3H2,(H,13,14)
InChIKeyBBVFVKFCETZTQU-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2,3-dihydro-1H-indene-5-carboxylic acid
CID 125449044
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
carbonic acid;6-chloro-2,3-dihydro-1H-indene-5-carbaldehyde
CID 88782894
2-[2-[(6-chloro-2,3-dihydro-1H-inden-5-yl)amino]-2-phenylacetyl]oxyacetic acid
CID 91196220
1-(6-chloro-2,3-dihydro-1H-inden-5-yl)-3-[4-(4-cyanophenyl)oxan-4-yl]urea
CID 132972757
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
3-(2,5-dichloro-4-methylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 104727936
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
4-acetamido-5-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-methoxybenzamide
CID 17312287
6-chloro-2,3-dihydro-1H-inden-5-amine
CID 22400278
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(6-cyano-2,3-dihydro-1H-inden-5-yl)acetamide
CID 10536029

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid?
The IUPAC name of (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid (CID 175811159) is (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid.
What is the SMILES notation for (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid?
The canonical SMILES for (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid is O=C(O)Nc1cc2c(cc1Cl)CCC2.
What is the InChIKey of (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid?
The InChIKey is BBVFVKFCETZTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-4-6-2-1-3-7(6)5-9(8)12-10(13)14/h4-5,12H,1-3H2,(H,13,14).
What are the key properties of (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid?
(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid has a molecular weight of 211.65 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid is sourced from PubChem (CID 175811159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).