molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene

C11H14N2 — CID 145472181

IUPACmolecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene
SMILESC=C(C)C1=CN2C(=NC3CC32)C=C1.[H][H]
InChIInChI=1S/C11H12N2.H2/c1-7(2)8-3-4-11-12-9-5-10(9)13(11)6-8;/h3-4,6,9-10H,1,5H2,2H3;1H
InChIKeyYKSMOLQGGQYJAK-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.12
Rot. Bonds1

About molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene

molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene (PubChem CID 145472181) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene.

Molecular Properties

Compound Namemolecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene
PubChem CID145472181
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Namemolecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene
SMILESC=C(C)C1=CN2C(=NC3CC32)C=C1.[H][H]
InChIInChI=1S/C11H12N2.H2/c1-7(2)8-3-4-11-12-9-5-10(9)13(11)6-8;/h3-4,6,9-10H,1,5H2,2H3;1H
InChIKeyYKSMOLQGGQYJAK-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene?
The IUPAC name of molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene (CID 145472181) is molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene.
What is the SMILES notation for molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene?
The canonical SMILES for molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene is C=C(C)C1=CN2C(=NC3CC32)C=C1.[H][H].
What is the InChIKey of molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene?
The InChIKey is YKSMOLQGGQYJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.H2/c1-7(2)8-3-4-11-12-9-5-10(9)13(11)6-8;/h3-4,6,9-10H,1,5H2,2H3;1H.
What are the key properties of molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene?
molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene has a molecular weight of 174.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene is sourced from PubChem (CID 145472181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).