N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide

C11H14ClNO2 — CID 81430503

IUPACN-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC/C=C/CCl
InChIInChI=1S/C11H14ClNO2/c12-7-1-2-8-13-11(14)6-5-10-4-3-9-15-10/h1-4,9H,5-8H2,(H,13,14)/b2-1+
InChIKeyNQYCUYONVUHFDJ-OWOJBTEDSA-N
MW227.69 g/mol
LogP2.12
Rot. Bonds6

About N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide

N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide (PubChem CID 81430503) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide
PubChem CID81430503
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide
SMILESO=C(CCc1ccco1)NC/C=C/CCl
InChIInChI=1S/C11H14ClNO2/c12-7-1-2-8-13-11(14)6-5-10-4-3-9-15-10/h1-4,9H,5-8H2,(H,13,14)/b2-1+
InChIKeyNQYCUYONVUHFDJ-OWOJBTEDSA-N
XLogP2.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
(E)-4-chloro-N-[2-(furan-2-yl)ethyl]but-2-en-1-amine
CID 81429403
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773
3-(furan-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 38404476
2-chloro-N-[2-(furan-2-yl)ethylcarbamoyl]acetamide
CID 61471395
3-(furan-2-yl)-N-(6-iodohexyl)propanamide
CID 107848207
3-(furan-2-yl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110307624

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide (CID 81430503) is N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide is O=C(CCc1ccco1)NC/C=C/CCl.
What is the InChIKey of N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide?
The InChIKey is NQYCUYONVUHFDJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-7-1-2-8-13-11(14)6-5-10-4-3-9-15-10/h1-4,9H,5-8H2,(H,13,14)/b2-1+.
What are the key properties of N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide?
N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide has a molecular weight of 227.69 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-chlorobut-2-enyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 81430503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).