2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C15H23NO2 — CID 71683274

IUPAC2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CC[C@H](O)C1
InChIInChI=1S/C15H23NO2/c17-13-1-2-16(8-13)15(18)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14,17H,1-8H2/t9?,10?,11?,12?,13-,14?/m0/s1
InChIKeyWNWMWPGJWNOUBA-QBBLGZLKSA-N
MW249.35 g/mol
LogP1.65
Rot. Bonds1

About 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 71683274) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID71683274
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(C1C2CC3CC(C2)CC1C3)N1CC[C@H](O)C1
InChIInChI=1S/C15H23NO2/c17-13-1-2-16(8-13)15(18)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14,17H,1-8H2/t9?,10?,11?,12?,13-,14?/m0/s1
InChIKeyWNWMWPGJWNOUBA-QBBLGZLKSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 71683274) is 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is O=C(C1C2CC3CC(C2)CC1C3)N1CC[C@H](O)C1.
What is the InChIKey of 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WNWMWPGJWNOUBA-QBBLGZLKSA-N. The full InChI is InChI=1S/C15H23NO2/c17-13-1-2-16(8-13)15(18)14-11-4-9-3-10(6-11)7-12(14)5-9/h9-14,17H,1-8H2/t9?,10?,11?,12?,13-,14?/m0/s1.
What are the key properties of 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 249.35 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 71683274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).