N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

C12H21NO — CID 34365223

IUPACN-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H21NO/c1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3,(H,13,14)/t9-,10-,12+/m0/s1
InChIKeyPNZAEYAVGJMPAY-JBLDHEPKSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds1

About N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide

N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 34365223) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID34365223
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C12H21NO/c1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3,(H,13,14)/t9-,10-,12+/m0/s1
InChIKeyPNZAEYAVGJMPAY-JBLDHEPKSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 34365223) is N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C.
What is the InChIKey of N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is PNZAEYAVGJMPAY-JBLDHEPKSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3,(H,13,14)/t9-,10-,12+/m0/s1.
What are the key properties of N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide?
N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 34365223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).