(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate

C11H11O3- — CID 7131871

IUPAC(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
SMILESC[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[O-])o1
InChIInChI=1S/C11H12O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H,12,13)/p-1/b5-3+/t7-,9+/m1/s1
InChIKeyAWPMLPOPHQPMJY-LVZKSCKVSA-M
MW191.21 g/mol
LogP1.17
Rot. Bonds3

About (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate

(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate (PubChem CID 7131871) has the molecular formula C11H11O3- and a molecular weight of 191.21 g/mol. Its IUPAC name is (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
PubChem CID7131871
Molecular FormulaC11H11O3-
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
SMILESC[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[O-])o1
InChIInChI=1S/C11H12O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H,12,13)/p-1/b5-3+/t7-,9+/m1/s1
InChIKeyAWPMLPOPHQPMJY-LVZKSCKVSA-M
XLogP1.17
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
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
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
(2R)-1-[(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 63001568
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
1-(3-hydroxypyrrolidin-1-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one
CID 76977700
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
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
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98645041

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate?
The IUPAC name of (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate (CID 7131871) is (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate is C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[O-])o1.
What is the InChIKey of (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate?
The InChIKey is AWPMLPOPHQPMJY-LVZKSCKVSA-M. The full InChI is InChI=1S/C11H12O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H,12,13)/p-1/b5-3+/t7-,9+/m1/s1.
What are the key properties of (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate?
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate has a molecular weight of 191.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate is sourced from PubChem (CID 7131871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).