N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide

C10H13NO2 — CID 43697663

IUPACN-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C10H13NO2/c1-4-10(12)11-8(3)9-6-5-7(2)13-9/h4-6,8H,1H2,2-3H3,(H,11,12)
InChIKeyGKCFEQKXYLKTMP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.95
Rot. Bonds3

About N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide

N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide (PubChem CID 43697663) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
PubChem CID43697663
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)c1ccc(C)o1
InChIInChI=1S/C10H13NO2/c1-4-10(12)11-8(3)9-6-5-7(2)13-9/h4-6,8H,1H2,2-3H3,(H,11,12)
InChIKeyGKCFEQKXYLKTMP-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661
2,3-dimethyl-4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobut-2-enoic acid
CID 76993202
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51187724
(E)-3-(2-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 78798391
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193
N-[1-(5-methylfuran-2-yl)ethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 47121321
N-[1-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63049931
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide (CID 43697663) is N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide is C=CC(=O)NC(C)c1ccc(C)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
The InChIKey is GKCFEQKXYLKTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-10(12)11-8(3)9-6-5-7(2)13-9/h4-6,8H,1H2,2-3H3,(H,11,12).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide?
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide has a molecular weight of 179.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 43697663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).