(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide

C15H21NO2 — CID 115880719

IUPAC(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)o1
InChIInChI=1S/C15H21NO2/c1-11-4-5-13(18-11)6-7-14(17)16-12-8-9-15(2,3)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/b7-6+
InChIKeyFZTQADCWGIMKDC-VOTSOKGWSA-N
MW247.34 g/mol
LogP3.30
Rot. Bonds3

About (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide

(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 115880719) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID115880719
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)o1
InChIInChI=1S/C15H21NO2/c1-11-4-5-13(18-11)6-7-14(17)16-12-8-9-15(2,3)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/b7-6+
InChIKeyFZTQADCWGIMKDC-VOTSOKGWSA-N
XLogP3.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.30
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)-N-(3,3-dimethylcyclopentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 114550449
(E)-N-(4-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26877417
(E)-3-(5-methylfuran-2-yl)-N-[[(1R,5R)-1,3,3-trimethyl-5-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]cyclohexyl]methyl]prop-2-enamide
CID 27528633
(E)-N-(3,3-dimethylcyclopentyl)-3-(4-methylphenyl)prop-2-enamide
CID 114550368
(E)-N-(3,3-dimethylcyclopentyl)-3-(3-methylphenyl)prop-2-enamide
CID 114550472
(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
ethyl 4-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542271
(E)-3-(benzenesulfonyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550405
(E)-3-(3-cyanophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 115880739
(E)-N-(3,3-dimethylcyclopentyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 114550303
(E)-N-[(3S)-1-benzoylpiperidin-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 95284463
3-(5-methylfuran-2-yl)-N-(3-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 136544172

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide (CID 115880719) is (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCC(C)(C)C2)o1.
What is the InChIKey of (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is FZTQADCWGIMKDC-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-5-13(18-11)6-7-14(17)16-12-8-9-15(2,3)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide?
(E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3-dimethylcyclopentyl)-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 115880719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).