1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone

C13H21NO — CID 153081058

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone
SMILESCC(C)N1CC(CC(=O)C23CC(C2)C3)C1
InChIInChI=1S/C13H21NO/c1-9(2)14-7-10(8-14)3-12(15)13-4-11(5-13)6-13/h9-11H,3-8H2,1-2H3
InChIKeyVNGVWCOZWQBMOP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.09
Rot. Bonds4

About 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone

1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone (PubChem CID 153081058) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone
PubChem CID153081058
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone
SMILESCC(C)N1CC(CC(=O)C23CC(C2)C3)C1
InChIInChI=1S/C13H21NO/c1-9(2)14-7-10(8-14)3-12(15)13-4-11(5-13)6-13/h9-11H,3-8H2,1-2H3
InChIKeyVNGVWCOZWQBMOP-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
N-[(1-propan-2-ylazetidin-3-yl)methyl]acetamide
CID 90251686
1-phenyl-3-(1-propan-2-ylazetidin-3-yl)propan-2-one
CID 161251993
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83989664
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
2,4-dimethyl-N-[(1-propan-2-ylazetidin-3-yl)methyl]benzamide
CID 178151169
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
2-[1-(2,6-dimethylheptan-4-yl)azetidin-3-yl]acetic acid
CID 114866965
5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83989066
3-ethyl-5-methyl-1-propan-2-ylpiperidine
CID 20730096

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone (CID 153081058) is 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone is CC(C)N1CC(CC(=O)C23CC(C2)C3)C1.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone?
The InChIKey is VNGVWCOZWQBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)14-7-10(8-14)3-12(15)13-4-11(5-13)6-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone?
1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone has a molecular weight of 207.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-2-(1-propan-2-ylazetidin-3-yl)ethanone is sourced from PubChem (CID 153081058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).