(2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine

C18H26N2O — CID 15237444

IUPAC(2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine
SMILESCOC(C)(C)[C@@H]1CCCN1C1=N[C@]1(C)Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-17(2,21-4)15-11-8-12-20(15)16-18(3,19-16)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3/t15-,18+/m0/s1
InChIKeyIQDMVSCVFWSXFU-MAUKXSAKSA-N
MW286.42 g/mol
LogP3.29
Rot. Bonds4

About (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine

(2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine (PubChem CID 15237444) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine
PubChem CID15237444
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine
SMILESCOC(C)(C)[C@@H]1CCCN1C1=N[C@]1(C)Cc1ccccc1
InChIInChI=1S/C18H26N2O/c1-17(2,21-4)15-11-8-12-20(15)16-18(3,19-16)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3/t15-,18+/m0/s1
InChIKeyIQDMVSCVFWSXFU-MAUKXSAKSA-N
XLogP3.29
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,9aS)-4-benzyl-4-methyl-1,2,7,8,9,9a-hexahydropyrrolo[1,2-d][1,4]thiazepin-5-one
CID 11448762
(Z)-N-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 101166696
(2S)-3-[(2S)-2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-2-prop-2-enyl-2H-thiophen-5-one
CID 15550745
benzyl 2-(2-methyl-1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 135014037
(5R)-5-butyl-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-1,2,4-oxadiazole
CID 100989002
(5S)-5-butyl-4-[(2S)-2-[methoxy(diphenyl)methyl]pyrrolidin-1-yl]-5-methyl-3-phenyl-1,2,4-oxadiazole
CID 100989001
(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene
CID 134845555
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
1-phenyl-2-(trifluoromethyl)pyrrolidine
CID 46193758
(3S,6S,7aR)-6-benzyl-3-tert-butyl-6,7a-dimethyl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 100921341
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine?
The IUPAC name of (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine (CID 15237444) is (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine is COC(C)(C)[C@@H]1CCCN1C1=N[C@]1(C)Cc1ccccc1.
What is the InChIKey of (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine?
The InChIKey is IQDMVSCVFWSXFU-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,21-4)15-11-8-12-20(15)16-18(3,19-16)13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3/t15-,18+/m0/s1.
What are the key properties of (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine?
(2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine has a molecular weight of 286.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-benzyl-3-methylazirin-2-yl]-2-(2-methoxypropan-2-yl)pyrrolidine is sourced from PubChem (CID 15237444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).