N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide

C12H21NO — CID 130443978

IUPACN-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide
SMILESCCC12CC(NC(=O)C(C)C)(C1)[C@H]2C
InChIInChI=1S/C12H21NO/c1-5-11-6-12(7-11,9(11)4)13-10(14)8(2)3/h8-9H,5-7H2,1-4H3,(H,13,14)/t9-,11?,12?/m0/s1
InChIKeyGFPZFQSYMXMOGD-GCVQQVDUSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds3

About N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide

N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide (PubChem CID 130443978) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide
PubChem CID130443978
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide
SMILESCCC12CC(NC(=O)C(C)C)(C1)[C@H]2C
InChIInChI=1S/C12H21NO/c1-5-11-6-12(7-11,9(11)4)13-10(14)8(2)3/h8-9H,5-7H2,1-4H3,(H,13,14)/t9-,11?,12?/m0/s1
InChIKeyGFPZFQSYMXMOGD-GCVQQVDUSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide (CID 130443978) is N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide is CCC12CC(NC(=O)C(C)C)(C1)[C@H]2C.
What is the InChIKey of N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide?
The InChIKey is GFPZFQSYMXMOGD-GCVQQVDUSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-11-6-12(7-11,9(11)4)13-10(14)8(2)3/h8-9H,5-7H2,1-4H3,(H,13,14)/t9-,11?,12?/m0/s1.
What are the key properties of N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide?
N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-ethyl-2-methyl-1-bicyclo[1.1.1]pentanyl]-2-methylpropanamide is sourced from PubChem (CID 130443978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).