N-(furan-3-ylmethyl)-3-methylbut-2-enamide

C10H13NO2 — CID 130157665

IUPACN-(furan-3-ylmethyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCc1ccoc1
InChIInChI=1S/C10H13NO2/c1-8(2)5-10(12)11-6-9-3-4-13-7-9/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyFBDUPSPWOSUVCM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.86
Rot. Bonds3

About N-(furan-3-ylmethyl)-3-methylbut-2-enamide

N-(furan-3-ylmethyl)-3-methylbut-2-enamide (PubChem CID 130157665) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-methylbut-2-enamide
PubChem CID130157665
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-(furan-3-ylmethyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCc1ccoc1
InChIInChI=1S/C10H13NO2/c1-8(2)5-10(12)11-6-9-3-4-13-7-9/h3-5,7H,6H2,1-2H3,(H,11,12)
InChIKeyFBDUPSPWOSUVCM-UHFFFAOYSA-N
XLogP1.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.86
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

N-[(5-bromofuran-3-yl)methyl]-3-methylbut-2-enamide
CID 130877490
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
3-methyl-N-(1H-pyrrol-3-ylmethyl)but-2-enamide
CID 106385306
3-methyl-N-[(3-methylfuran-2-yl)methyl]but-2-enamide
CID 130597720
(Z)-2-ethylsulfanyl-N-(furan-3-ylmethyl)but-2-enamide
CID 143240544
N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 113342680
(2S)-2-amino-N-(furan-3-ylmethyl)butanamide
CID 104874097
N-(furan-3-ylmethyl)-2-methylbenzamide
CID 47285303
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
CID 51082921
N-(furan-3-ylmethyl)-4-hydroxybenzamide
CID 115870248
9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
CID 579311
(5Z)-9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
CID 5371289

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-methylbut-2-enamide?
The IUPAC name of N-(furan-3-ylmethyl)-3-methylbut-2-enamide (CID 130157665) is N-(furan-3-ylmethyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(furan-3-ylmethyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-methylbut-2-enamide?
The InChIKey is FBDUPSPWOSUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(2)5-10(12)11-6-9-3-4-13-7-9/h3-5,7H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(furan-3-ylmethyl)-3-methylbut-2-enamide?
N-(furan-3-ylmethyl)-3-methylbut-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-methylbut-2-enamide is sourced from PubChem (CID 130157665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).