(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C11H13NO2 — CID 43237027

IUPAC(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(N)=O)o1
InChIInChI=1S/C11H13NO2/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H2,12,13)/b5-3+
InChIKeyMZPQEFGILAVWSC-HWKANZROSA-N
MW191.23 g/mol
LogP1.90
Rot. Bonds3

About (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 43237027) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID43237027
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCC1CC1c1ccc(/C=C/C(N)=O)o1
InChIInChI=1S/C11H13NO2/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H2,12,13)/b5-3+
InChIKeyMZPQEFGILAVWSC-HWKANZROSA-N
XLogP1.90
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.90
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

(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 79410754
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
(E)-2-cyano-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247241
N-(2-hydroxypropyl)-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 76940023
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(2R)-1-[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 63001568
1-(3-hydroxypyrrolidin-1-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 76977700
1-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 76985371
3-[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359155

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 43237027) is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CC1CC1c1ccc(/C=C/C(N)=O)o1.
What is the InChIKey of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is MZPQEFGILAVWSC-HWKANZROSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H2,12,13)/b5-3+.
What are the key properties of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 43237027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).