1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one

C17H27NO — CID 2836042

IUPAC1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC1
InChIInChI=1S/C17H27NO/c1-12(18-4-2-3-5-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyPZOZCKFFWMPIMK-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.26
Rot. Bonds3

About 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one

1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 2836042) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID2836042
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC1
InChIInChI=1S/C17H27NO/c1-12(18-4-2-3-5-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyPZOZCKFFWMPIMK-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Adamantyl)-2-(isopropylamino)ethanone
CID 551582
(3,5-Dimethyl-1-adamantyl)-pyrrolidin-1-ylmethanone
CID 6464652
1-(1-Adamantyl)-2-(isopropylamino)-1-propanone hydrochloride
CID 2870479
2-(1-Adamantyl)-1-(1-piperidyl)ethan-2-one
CID 31942
Ketone, 1-adamantyl piperidinomethyl, hydrochloride
CID 31941
2-(Dimethylamino)-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)propan-1-one
CID 2728846
1-(Adamantan-1-YL)-2-(dimethylamino)ethan-1-one
CID 3879753
1-(1-Adamantyl)-2-(propan-2-ylamino)propan-1-one
CID 2870480
3-(1-Adamantyl)-1-(diethylamino)propan-3-one
CID 15435706
1-(1-Adamantyl)-3-(diethyl-amino)propan-1-one hydrochloride
CID 129747246
2-(1-adamantyl)-1-[N-(1-adamantyl)-N-methyl-amino]ethan-2-one
CID 129763461
[3-(1-Adamantyl)-3-oxopropyl]-trimethylazanium
CID 2775569

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one (CID 2836042) is 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one is CC(C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC1.
What is the InChIKey of 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PZOZCKFFWMPIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(18-4-2-3-5-18)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one?
1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 2836042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).