(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one

C14H23NO — CID 146300108

IUPAC(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one
SMILESO=C1CC[C@@H]2CCCC3CC[C@H](CCN1)[C@@H]32
InChIInChI=1S/C14H23NO/c16-13-7-6-11-3-1-2-10-4-5-12(14(10)11)8-9-15-13/h10-12,14H,1-9H2,(H,15,16)/t10?,11-,12+,14-/m0/s1
InChIKeyCVOMTUICKITRSH-CMGMYYOESA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds

About (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one

(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one (PubChem CID 146300108) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one.

Molecular Properties

Compound Name(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one
PubChem CID146300108
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one
SMILESO=C1CC[C@@H]2CCCC3CC[C@H](CCN1)[C@@H]32
InChIInChI=1S/C14H23NO/c16-13-7-6-11-3-1-2-10-4-5-12(14(10)11)8-9-15-13/h10-12,14H,1-9H2,(H,15,16)/t10?,11-,12+,14-/m0/s1
InChIKeyCVOMTUICKITRSH-CMGMYYOESA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one?
The IUPAC name of (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one (CID 146300108) is (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one.
What is the SMILES notation for (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one?
The canonical SMILES for (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one is O=C1CC[C@@H]2CCCC3CC[C@H](CCN1)[C@@H]32.
What is the InChIKey of (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one?
The InChIKey is CVOMTUICKITRSH-CMGMYYOESA-N. The full InChI is InChI=1S/C14H23NO/c16-13-7-6-11-3-1-2-10-4-5-12(14(10)11)8-9-15-13/h10-12,14H,1-9H2,(H,15,16)/t10?,11-,12+,14-/m0/s1.
What are the key properties of (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one?
(1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one has a molecular weight of 221.34 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,15S)-12-azatricyclo[6.6.1.04,15]pentadecan-11-one is sourced from PubChem (CID 146300108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).