3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide

C12H19FN2O — CID 126794090

IUPAC3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(F)CCN(C(=O)NCC2CC23CC3)C1
InChIInChI=1S/C12H19FN2O/c1-11(13)4-5-15(8-11)10(16)14-7-9-6-12(9)2-3-12/h9H,2-8H2,1H3,(H,14,16)
InChIKeyNKOKRZQVKZQNJT-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.93
Rot. Bonds2

About 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide

3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126794090) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID126794090
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(F)CCN(C(=O)NCC2CC23CC3)C1
InChIInChI=1S/C12H19FN2O/c1-11(13)4-5-15(8-11)10(16)14-7-9-6-12(9)2-3-12/h9H,2-8H2,1H3,(H,14,16)
InChIKeyNKOKRZQVKZQNJT-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,2-difluoro-3,3-dimethylcyclopropyl)methyl]-3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methyl]urea
CID 136583724
(4S)-3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 130358906
(3S)-3-ethyl-4-(2-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 145355845
2-tert-butyl-N-(2-fluoroethyl)pyrrolidine-1-carboxamide
CID 155627096
3-tert-butyl-4-ethyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 156532230
3-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 167157450
2-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036387
2-[(2R)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036755
N-(3-fluoropropyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193610
N-[(2S)-2-fluoropropyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193626
N-[(2R)-1-fluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193659
N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193670

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide (CID 126794090) is 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide is CC1(F)CCN(C(=O)NCC2CC23CC3)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is NKOKRZQVKZQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-11(13)4-5-15(8-11)10(16)14-7-9-6-12(9)2-3-12/h9H,2-8H2,1H3,(H,14,16).
What are the key properties of 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide?
3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 226.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-(spiro[2.2]pentan-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126794090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).