[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone

C19H21NO2 — CID 131918641

IUPAC[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CC=CC3C(C)C)cc2)o1
InChIInChI=1S/C19H21NO2/c1-13(2)17-5-4-12-20(17)19(21)16-9-7-15(8-10-16)18-11-6-14(3)22-18/h4-11,13,17H,12H2,1-3H3
InChIKeyKSNSDZFVVZYGPG-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.29
Rot. Bonds3

About [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone

[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 131918641) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID131918641
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CC=CC3C(C)C)cc2)o1
InChIInChI=1S/C19H21NO2/c1-13(2)17-5-4-12-20(17)19(21)16-9-7-15(8-10-16)18-11-6-14(3)22-18/h4-11,13,17H,12H2,1-3H3
InChIKeyKSNSDZFVVZYGPG-UHFFFAOYSA-N
XLogP4.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(1,3-dimethylpyrazol-4-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
CID 122570111
[4-[5-methyl-2-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone
CID 122572642
1-[4-(5-methylfuran-2-yl)phenyl]ethanone
CID 5167325
methyl 4-(5-methylfuran-2-yl)benzoate
CID 5219873
(2-ethyl-2,5-dihydropyrrol-1-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 131902419
1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 131916713
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
1-cyclopropyl-4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)pyridin-2-one
CID 172671068
[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[4-(5-methylfuran-2-yl)phenyl]methanone
CID 172673874
4-(5-methylfuran-2-yl)-N-(4-methylphenyl)benzamide
CID 7463717
[4-(5-methylfuran-2-yl)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118793305
[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-[4-(5-methylfuran-2-yl)phenyl]methanone
CID 90649724

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone (CID 131918641) is [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone is Cc1ccc(-c2ccc(C(=O)N3CC=CC3C(C)C)cc2)o1.
What is the InChIKey of [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is KSNSDZFVVZYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13(2)17-5-4-12-20(17)19(21)16-9-7-15(8-10-16)18-11-6-14(3)22-18/h4-11,13,17H,12H2,1-3H3.
What are the key properties of [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone?
[4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 295.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylfuran-2-yl)phenyl]-(2-propan-2-yl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 131918641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).