(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid

C10H10BrNO3 — CID 18448605

IUPAC(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
SMILESO=C(O)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO3/c11-6-1-2-9-7(5-6)8(3-4-15-9)12-10(13)14/h1-2,5,8,12H,3-4H2,(H,13,14)
InChIKeyVIEKLICSRBIIRV-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.54
Rot. Bonds1

About (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid

(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid (PubChem CID 18448605) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
PubChem CID18448605
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
SMILESO=C(O)NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO3/c11-6-1-2-9-7(5-6)8(3-4-15-9)12-10(13)14/h1-2,5,8,12H,3-4H2,(H,13,14)
InChIKeyVIEKLICSRBIIRV-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
(2S)-N-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94488724
3-amino-N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-phenylpropanamide
CID 119042645
(2S,3R)-3-amino-N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-phenylpropanamide
CID 124863977
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 60568880
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-5-methoxypentanamide
CID 86872157
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[(4R)-6-bromo-3,4-dihydro-2H-chromen-4-yl]urea
CID 100847199
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 60568914
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
[(4S)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-4-yl]carbamic acid
CID 68537224

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid?
The IUPAC name of (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid (CID 18448605) is (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid is O=C(O)NC1CCOc2ccc(Br)cc21.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid?
The InChIKey is VIEKLICSRBIIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-6-1-2-9-7(5-6)8(3-4-15-9)12-10(13)14/h1-2,5,8,12H,3-4H2,(H,13,14).
What are the key properties of (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid?
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid has a molecular weight of 272.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid is sourced from PubChem (CID 18448605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).