(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide

C14H24ClNO — CID 98292617

IUPAC(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide
SMILESCC[C@@H]1C[C@H]2CCC[C@@](NC(=O)[C@H](C)Cl)(C1)C2
InChIInChI=1S/C14H24ClNO/c1-3-11-7-12-5-4-6-14(8-11,9-12)16-13(17)10(2)15/h10-12H,3-9H2,1-2H3,(H,16,17)/t10-,11+,12+,14+/m0/s1
InChIKeyOCXWIIXCVMUXFX-FMCLSXCISA-N
MW257.80 g/mol
LogP3.48
Rot. Bonds3

About (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide

(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide (PubChem CID 98292617) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide
PubChem CID98292617
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide
SMILESCC[C@@H]1C[C@H]2CCC[C@@](NC(=O)[C@H](C)Cl)(C1)C2
InChIInChI=1S/C14H24ClNO/c1-3-11-7-12-5-4-6-14(8-11,9-12)16-13(17)10(2)15/h10-12H,3-9H2,1-2H3,(H,16,17)/t10-,11+,12+,14+/m0/s1
InChIKeyOCXWIIXCVMUXFX-FMCLSXCISA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide (CID 98292617) is (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide is CC[C@@H]1C[C@H]2CCC[C@@](NC(=O)[C@H](C)Cl)(C1)C2.
What is the InChIKey of (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide?
The InChIKey is OCXWIIXCVMUXFX-FMCLSXCISA-N. The full InChI is InChI=1S/C14H24ClNO/c1-3-11-7-12-5-4-6-14(8-11,9-12)16-13(17)10(2)15/h10-12H,3-9H2,1-2H3,(H,16,17)/t10-,11+,12+,14+/m0/s1.
What are the key properties of (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide?
(2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide has a molecular weight of 257.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(1R,3R,5R)-3-ethyl-1-bicyclo[3.3.1]nonanyl]propanamide is sourced from PubChem (CID 98292617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).