N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide

C10H17NO — CID 95706144

IUPACN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H17NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyJOFUFNWAHKZRDO-YIZRAAEISA-N
MW167.25 g/mol
LogP1.70
Rot. Bonds2

About N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide

N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide (PubChem CID 95706144) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide.

Molecular Properties

Compound NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
PubChem CID95706144
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
SMILESCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H17NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyJOFUFNWAHKZRDO-YIZRAAEISA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide?
The IUPAC name of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide (CID 95706144) is N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide.
What is the SMILES notation for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide?
The canonical SMILES for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide is CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide?
The InChIKey is JOFUFNWAHKZRDO-YIZRAAEISA-N. The full InChI is InChI=1S/C10H17NO/c1-2-10(12)11-9-6-7-3-4-8(9)5-7/h7-9H,2-6H2,1H3,(H,11,12)/t7-,8+,9-/m0/s1.
What are the key properties of N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide?
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide has a molecular weight of 167.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide is sourced from PubChem (CID 95706144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).