[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol

C15H24N2O2 — CID 50964237

IUPAC[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC/C(=C\c1ccco1)CN1C[C@H](N(C)C)C[C@H]1CO
InChIInChI=1S/C15H24N2O2/c1-12(7-15-5-4-6-19-15)9-17-10-13(16(2)3)8-14(17)11-18/h4-7,13-14,18H,8-11H2,1-3H3/b12-7+/t13-,14+/m1/s1
InChIKeyCBJQAGDEYMRXMF-NMEJBFKPSA-N
MW264.37 g/mol
LogP1.68
Rot. Bonds5

About [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 50964237) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID50964237
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC/C(=C\c1ccco1)CN1C[C@H](N(C)C)C[C@H]1CO
InChIInChI=1S/C15H24N2O2/c1-12(7-15-5-4-6-19-15)9-17-10-13(16(2)3)8-14(17)11-18/h4-7,13-14,18H,8-11H2,1-3H3/b12-7+/t13-,14+/m1/s1
InChIKeyCBJQAGDEYMRXMF-NMEJBFKPSA-N
XLogP1.68
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

4-[3-(furan-2-yl)-2-methylprop-2-enyl]-2-methyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 75100512
[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methanamine
CID 50948250
4-[(2S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 95127074
(E)-4-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 55254010
5-[(2R)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 95133379
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]cyclopropanesulfonamide
CID 95202988
N-(furan-2-ylmethyl)-2-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-N-methylacetamide
CID 128982821
(2S)-4-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2-(2-methoxyethyl)morpholine
CID 95147358
(3R)-3-acetyl-5-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]oxolan-2-one
CID 100982900
1-[(4aR,8aR)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-(4-fluorophenyl)ethanone
CID 56853318
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95192328
N-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 50972306

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol (CID 50964237) is [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol is C/C(=C\c1ccco1)CN1C[C@H](N(C)C)C[C@H]1CO.
What is the InChIKey of [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is CBJQAGDEYMRXMF-NMEJBFKPSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(7-15-5-4-6-19-15)9-17-10-13(16(2)3)8-14(17)11-18/h4-7,13-14,18H,8-11H2,1-3H3/b12-7+/t13-,14+/m1/s1.
What are the key properties of [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 264.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(dimethylamino)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 50964237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).