1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one

C18H28N2O2 — CID 71927931

IUPAC1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
SMILESCC1CC1c1ccc(CCC(=O)N2CC(C)C(N(C)C)C2)o1
InChIInChI=1S/C18H28N2O2/c1-12-9-15(12)17-7-5-14(22-17)6-8-18(21)20-10-13(2)16(11-20)19(3)4/h5,7,12-13,15-16H,6,8-11H2,1-4H3
InChIKeyXRVVKDIJLLZAFF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.74
Rot. Bonds5

About 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one

1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one (PubChem CID 71927931) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
PubChem CID71927931
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
SMILESCC1CC1c1ccc(CCC(=O)N2CC(C)C(N(C)C)C2)o1
InChIInChI=1S/C18H28N2O2/c1-12-9-15(12)17-7-5-14(22-17)6-8-18(21)20-10-13(2)16(11-20)19(3)4/h5,7,12-13,15-16H,6,8-11H2,1-4H3
InChIKeyXRVVKDIJLLZAFF-UHFFFAOYSA-N
XLogP2.74
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 98761551
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 94472444
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one
CID 124811218
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 94029312
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 95289388
N-[[(3R)-1-[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100854495
N-cyclohexyl-N-methyl-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94472198
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95352466
1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816833

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
The IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one (CID 71927931) is 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one is CC1CC1c1ccc(CCC(=O)N2CC(C)C(N(C)C)C2)o1.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
The InChIKey is XRVVKDIJLLZAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-9-15(12)17-7-5-14(22-17)6-8-18(21)20-10-13(2)16(11-20)19(3)4/h5,7,12-13,15-16H,6,8-11H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one?
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one is sourced from PubChem (CID 71927931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).