N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide

C13H14BrNO2 — CID 113227517

IUPACN-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESC=C(Br)CNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C13H14BrNO2/c1-9(14)7-15-13(16)11-6-10-4-2-3-5-12(10)17-8-11/h2-5,11H,1,6-8H2,(H,15,16)
InChIKeyNYSANUAEXOCEMI-UHFFFAOYSA-N
MW296.16 g/mol
LogP2.26
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 113227517) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID113227517
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC NameN-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESC=C(Br)CNC(=O)C1COc2ccccc2C1
InChIInChI=1S/C13H14BrNO2/c1-9(14)7-15-13(16)11-6-10-4-2-3-5-12(10)17-8-11/h2-5,11H,1,6-8H2,(H,15,16)
InChIKeyNYSANUAEXOCEMI-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3S)-N-[2-(2-bromoanilino)-2-oxoethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9456836
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
(3R)-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51546919
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(2-bromo-3-ethylpentyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106288162
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64867410

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 113227517) is N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide is C=C(Br)CNC(=O)C1COc2ccccc2C1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NYSANUAEXOCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-9(14)7-15-13(16)11-6-10-4-2-3-5-12(10)17-8-11/h2-5,11H,1,6-8H2,(H,15,16).
What are the key properties of N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 113227517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).