2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide

C11H12BrNO2 — CID 106854213

IUPAC2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCN(C(=O)c1ccoc1Br)C1CC1
InChIInChI=1S/C11H12BrNO2/c1-2-6-13(8-3-4-8)11(14)9-5-7-15-10(9)12/h2,5,7-8H,1,3-4,6H2
InChIKeyPHTSBWNVQVDGRT-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.83
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide

2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide (PubChem CID 106854213) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
PubChem CID106854213
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
SMILESC=CCN(C(=O)c1ccoc1Br)C1CC1
InChIInChI=1S/C11H12BrNO2/c1-2-6-13(8-3-4-8)11(14)9-5-7-15-10(9)12/h2,5,7-8H,1,3-4,6H2
InChIKeyPHTSBWNVQVDGRT-UHFFFAOYSA-N
XLogP2.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
2-bromo-5-chloro-N-cyclopentyl-N-prop-2-enylbenzamide
CID 103621937
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
5-bromo-N-cyclopentyl-N-prop-2-enylfuran-2-carboxamide
CID 61062387
N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
CID 105380891
(2-bromofuran-3-yl)-cyclopentylmethanone
CID 106856555
2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
CID 106853405
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide (CID 106854213) is 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide is C=CCN(C(=O)c1ccoc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide?
The InChIKey is PHTSBWNVQVDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-6-13(8-3-4-8)11(14)9-5-7-15-10(9)12/h2,5,7-8H,1,3-4,6H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide?
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide is sourced from PubChem (CID 106854213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).