7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene

C10H16N2 — CID 13113756

IUPAC7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)C=C1C2CCC1N=N2
InChIInChI=1S/C10H16N2/c1-10(2,3)6-7-8-4-5-9(7)12-11-8/h6,8-9H,4-5H2,1-3H3
InChIKeyHGCBIHQMBSXAFR-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.96
Rot. Bonds

About 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene

7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene (PubChem CID 13113756) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
PubChem CID13113756
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESCC(C)(C)C=C1C2CCC1N=N2
InChIInChI=1S/C10H16N2/c1-10(2,3)6-7-8-4-5-9(7)12-11-8/h6,8-9H,4-5H2,1-3H3
InChIKeyHGCBIHQMBSXAFR-UHFFFAOYSA-N
XLogP2.96
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-7-propan-2-ylidene-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 10942492
7-(Propan-2-ylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 12433193
7-Ethylidene-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 13113755
7-(2-Methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 131863004
7-(3,3-Dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 139252731

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene (CID 13113756) is 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene is CC(C)(C)C=C1C2CCC1N=N2.
What is the InChIKey of 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The InChIKey is HGCBIHQMBSXAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2,3)6-7-8-4-5-9(7)12-11-8/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene has a molecular weight of 164.25 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 13113756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).