4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine

C15H21N3O — CID 143723491

IUPAC4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine
SMILESCC1CNCCC2=C1N=C(N1CCOCC1)C#CC2
InChIInChI=1S/C15H21N3O/c1-12-11-16-6-5-13-3-2-4-14(17-15(12)13)18-7-9-19-10-8-18/h12,16H,3,5-11H2,1H3
InChIKeyLTPDABWWRHKGQD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.01
Rot. Bonds

About 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine

4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine (PubChem CID 143723491) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine.

Molecular Properties

Compound Name4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine
PubChem CID143723491
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine
SMILESCC1CNCCC2=C1N=C(N1CCOCC1)C#CC2
InChIInChI=1S/C15H21N3O/c1-12-11-16-6-5-13-3-2-4-14(17-15(12)13)18-7-9-19-10-8-18/h12,16H,3,5-11H2,1H3
InChIKeyLTPDABWWRHKGQD-UHFFFAOYSA-N
XLogP1.01
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(9-methyl-4,5,6,7,8,9-hexahydro-3H-pyrido[2,3-d]azepin-2-yl)morpholine
CID 143723489

Frequently Asked Questions

What is the IUPAC name of 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine?
The IUPAC name of 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine (CID 143723491) is 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine.
What is the SMILES notation for 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine?
The canonical SMILES for 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine is CC1CNCCC2=C1N=C(N1CCOCC1)C#CC2.
What is the InChIKey of 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine?
The InChIKey is LTPDABWWRHKGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-11-16-6-5-13-3-2-4-14(17-15(12)13)18-7-9-19-10-8-18/h12,16H,3,5-11H2,1H3.
What are the key properties of 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine?
4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine has a molecular weight of 259.35 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-methyl-2,10-diazabicyclo[5.5.0]dodeca-1(7),2-dien-4-yn-3-yl)morpholine is sourced from PubChem (CID 143723491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).