ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide

C11H23FN2O — CID 153399046

IUPACethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide
SMILESCC.CC(C)C(=O)NCC1(F)CCNC1
InChIInChI=1S/C9H17FN2O.C2H6/c1-7(2)8(13)12-6-9(10)3-4-11-5-9;1-2/h7,11H,3-6H2,1-2H3,(H,12,13);1-2H3
InChIKeyPKORUFHMAYVVEL-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.49
Rot. Bonds3

About ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide

ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide (PubChem CID 153399046) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Nameethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide
PubChem CID153399046
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Nameethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide
SMILESCC.CC(C)C(=O)NCC1(F)CCNC1
InChIInChI=1S/C9H17FN2O.C2H6/c1-7(2)8(13)12-6-9(10)3-4-11-5-9;1-2/h7,11H,3-6H2,1-2H3,(H,12,13);1-2H3
InChIKeyPKORUFHMAYVVEL-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Aminomethyl)pyrrolidin-2-one
CID 19757933
1-Ethyl-4-[(methylamino)methyl]pyrrolidin-2-one
CID 45791026
4-((Dimethylamino)methyl)pyrrolidin-2-one
CID 59591617
N-(pyrrolidin-3-ylmethyl)acetamide
CID 19853346
1-{3-[(Methylamino)methyl]pyrrolidin-1-yl}ethan-1-one hydrochloride
CID 71757199
N-[(pyrrolidin-3-yl)methyl]acetamide dihydrochloride
CID 121553829
4,4,4-trifluoro-N-[(1-methylpyrrolidin-3-yl)methyl]butanamide
CID 56709504
4,4,4-trifluoro-N-[2-methyl-3-(methylamino)propyl]butanamide
CID 81487620
(2S)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 94607126
N-[(4-fluoropyrrolidin-3-yl)methyl]acetamide
CID 13933689
N-[[(3R,4S)-4-fluoropyrrolidin-3-yl]methyl]acetamide
CID 13933690
N-ethyl-2,2,2-trifluoro-N-[(4-fluoropyrrolidin-3-yl)methyl]acetamide
CID 20142446

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide (CID 153399046) is ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide is CC.CC(C)C(=O)NCC1(F)CCNC1.
What is the InChIKey of ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide?
The InChIKey is PKORUFHMAYVVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O.C2H6/c1-7(2)8(13)12-6-9(10)3-4-11-5-9;1-2/h7,11H,3-6H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide?
ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 218.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 153399046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).