(2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol

C11H15NO — CID 166762419

IUPAC(2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol
SMILESC/C1=C/N(C)/C(O)=C/C=C\C=C\C1
InChIInChI=1S/C11H15NO/c1-10-7-5-3-4-6-8-11(13)12(2)9-10/h3-6,8-9,13H,7H2,1-2H3/b5-3+,6-4-,10-9-,11-8-
InChIKeyCPTMCOFSYMDPFM-RKFIPCJRSA-N
MW177.25 g/mol
LogP2.74
Rot. Bonds

About (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol

(2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol (PubChem CID 166762419) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol.

Molecular Properties

Compound Name(2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol
PubChem CID166762419
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol
SMILESC/C1=C/N(C)/C(O)=C/C=C\C=C\C1
InChIInChI=1S/C11H15NO/c1-10-7-5-3-4-6-8-11(13)12(2)9-10/h3-6,8-9,13H,7H2,1-2H3/b5-3+,6-4-,10-9-,11-8-
InChIKeyCPTMCOFSYMDPFM-RKFIPCJRSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol?
The IUPAC name of (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol (CID 166762419) is (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol.
What is the SMILES notation for (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol?
The canonical SMILES for (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol is C/C1=C/N(C)/C(O)=C/C=C\C=C\C1.
What is the InChIKey of (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol?
The InChIKey is CPTMCOFSYMDPFM-RKFIPCJRSA-N. The full InChI is InChI=1S/C11H15NO/c1-10-7-5-3-4-6-8-11(13)12(2)9-10/h3-6,8-9,13H,7H2,1-2H3/b5-3+,6-4-,10-9-,11-8-.
What are the key properties of (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol?
(2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol has a molecular weight of 177.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E,7Z,9Z)-1,3-dimethyl-4H-azecin-10-ol is sourced from PubChem (CID 166762419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).