N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide

C9H11NO2 — CID 166410284

IUPACN-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)c1ccoc1
InChIInChI=1S/C9H11NO2/c1-3-9(11)10-7(2)8-4-5-12-6-8/h3-7H,1H2,2H3,(H,10,11)/t7-/m0/s1
InChIKeyZBBPWMBGQJVSSI-ZETCQYMHSA-N
MW165.19 g/mol
LogP1.64
Rot. Bonds3

About N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide

N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide (PubChem CID 166410284) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide
PubChem CID166410284
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N[C@@H](C)c1ccoc1
InChIInChI=1S/C9H11NO2/c1-3-9(11)10-7(2)8-4-5-12-6-8/h3-7H,1H2,2H3,(H,10,11)/t7-/m0/s1
InChIKeyZBBPWMBGQJVSSI-ZETCQYMHSA-N
XLogP1.64
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[1-(furan-3-yl)ethyl]acetamide
CID 130683664
N-[(1S)-1-(3,5-difluorophenyl)ethyl]prop-2-enamide
CID 167781770
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 43697663
N-[(1S)-1-(2-methylpyrazol-3-yl)ethyl]prop-2-enamide
CID 167843954
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-[(1S)-1-(3-bromo-4-fluorophenyl)ethyl]prop-2-enamide
CID 166408346
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide (CID 166410284) is N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide is C=CC(=O)N[C@@H](C)c1ccoc1.
What is the InChIKey of N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide?
The InChIKey is ZBBPWMBGQJVSSI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-9(11)10-7(2)8-4-5-12-6-8/h3-7H,1H2,2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide?
N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide has a molecular weight of 165.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-3-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 166410284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).