2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone

C17H24N2O2 — CID 55409532

IUPAC2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(NCC1CCCO1)c1ccccc1)N1CCCC1
InChIInChI=1S/C17H24N2O2/c20-17(19-10-4-5-11-19)16(14-7-2-1-3-8-14)18-13-15-9-6-12-21-15/h1-3,7-8,15-16,18H,4-6,9-13H2
InChIKeySPWUUCWWRRXTBA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds5

About 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone

2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone (PubChem CID 55409532) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
PubChem CID55409532
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
SMILESO=C(C(NCC1CCCO1)c1ccccc1)N1CCCC1
InChIInChI=1S/C17H24N2O2/c20-17(19-10-4-5-11-19)16(14-7-2-1-3-8-14)18-13-15-9-6-12-21-15/h1-3,7-8,15-16,18H,4-6,9-13H2
InChIKeySPWUUCWWRRXTBA-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 98758976
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
N-(3,5-dichlorophenyl)-2-(oxolan-2-ylmethylamino)-2-phenylacetamide
CID 3345532
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
CID 2442322
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-(4-cyclopropylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 79984283
1-benzhydryl-N-[[(2S)-oxolan-2-yl]methyl]azetidine-3-carboxamide
CID 29135523
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
CID 9356699
2-(oxolan-2-ylmethylamino)-1-phenylpropan-1-one
CID 82100049
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone (CID 55409532) is 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone is O=C(C(NCC1CCCO1)c1ccccc1)N1CCCC1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone?
The InChIKey is SPWUUCWWRRXTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(19-10-4-5-11-19)16(14-7-2-1-3-8-14)18-13-15-9-6-12-21-15/h1-3,7-8,15-16,18H,4-6,9-13H2.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone?
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone has a molecular weight of 288.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55409532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).