N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide

C10H10BrNO2 — CID 115193294

IUPACN-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
SMILESO=C(Br)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C10H10BrNO2/c11-10(13)12-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyPAAUQGBFAXEKOO-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.94
Rot. Bonds1

About N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide

N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide (PubChem CID 115193294) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
PubChem CID115193294
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC NameN-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide
SMILESO=C(Br)Nc1ccc2c(c1)CCCO2
InChIInChI=1S/C10H10BrNO2/c11-10(13)12-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyPAAUQGBFAXEKOO-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
N-(3,4-dihydro-2H-chromen-6-yl)pyridine-4-carboxamide
CID 110726182
1-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)urea
CID 110748414
N-(3,4-dihydro-2H-chromen-6-yl)-4-(dimethylamino)benzamide
CID 110744167
7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
N-(3,4-dihydro-2H-chromen-6-yl)-2-phenoxyacetamide
CID 110726178
4-amino-N-(3,4-dihydro-2H-chromen-6-yl)-4-methylpentanamide
CID 115157512
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)urea
CID 110866610
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-3-carboxamide;hydrochloride
CID 119767335
N-(3,4-dihydro-2H-chromen-6-yl)morpholine-2-carboxamide;hydrochloride
CID 119767367

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide (CID 115193294) is N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide is O=C(Br)Nc1ccc2c(c1)CCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide?
The InChIKey is PAAUQGBFAXEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-10(13)12-8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide?
N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide has a molecular weight of 256.10 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-yl)carbamoyl bromide is sourced from PubChem (CID 115193294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).