(7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C16H23NO2 — CID 129041281

IUPAC(7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CC[C@@H](C3)C2C(=O)N1CC1CCCCC1
InChIInChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12?,13?,14?/m0/s1
InChIKeySPTGKCLLSZGTNW-YWLNHKIPSA-N
MW261.36 g/mol
LogP2.60
Rot. Bonds2

About (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

(7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 129041281) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID129041281
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESO=C1C2C3CC[C@@H](C3)C2C(=O)N1CC1CCCCC1
InChIInChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12?,13?,14?/m0/s1
InChIKeySPTGKCLLSZGTNW-YWLNHKIPSA-N
XLogP2.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 129041281) is (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is O=C1C2C3CC[C@@H](C3)C2C(=O)N1CC1CCCCC1.
What is the InChIKey of (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is SPTGKCLLSZGTNW-YWLNHKIPSA-N. The full InChI is InChI=1S/C16H23NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h10-14H,1-9H2/t11-,12?,13?,14?/m0/s1.
What are the key properties of (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
(7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 261.36 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-(cyclohexylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 129041281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).