N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide

C12H19NO — CID 135012318

IUPACN-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
SMILESC=C(NC(C)=O)C1=CC[C@@H](C)C1(C)C
InChIInChI=1S/C12H19NO/c1-8-6-7-11(12(8,4)5)9(2)13-10(3)14/h7-8H,2,6H2,1,3-5H3,(H,13,14)/t8-/m1/s1
InChIKeyDDCUHBWDXWUTDA-MRVPVSSYSA-N
MW193.29 g/mol
LogP2.63
Rot. Bonds2

About N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide

N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide (PubChem CID 135012318) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
PubChem CID135012318
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
SMILESC=C(NC(C)=O)C1=CC[C@@H](C)C1(C)C
InChIInChI=1S/C12H19NO/c1-8-6-7-11(12(8,4)5)9(2)13-10(3)14/h7-8H,2,6H2,1,3-5H3,(H,13,14)/t8-/m1/s1
InChIKeyDDCUHBWDXWUTDA-MRVPVSSYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide?
The IUPAC name of N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide (CID 135012318) is N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide.
What is the SMILES notation for N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide?
The canonical SMILES for N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide is C=C(NC(C)=O)C1=CC[C@@H](C)C1(C)C.
What is the InChIKey of N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide?
The InChIKey is DDCUHBWDXWUTDA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-7-11(12(8,4)5)9(2)13-10(3)14/h7-8H,2,6H2,1,3-5H3,(H,13,14)/t8-/m1/s1.
What are the key properties of N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide?
N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide has a molecular weight of 193.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide is sourced from PubChem (CID 135012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).