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

C9H14N2 — CID 131863004

IUPAC7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESCC(C)C=C1C2CCC1N=N2
InChIInChI=1S/C9H14N2/c1-6(2)5-7-8-3-4-9(7)11-10-8/h5-6,8-9H,3-4H2,1-2H3
InChIKeyQUJQSSIODUARBH-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.57
Rot. Bonds1

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

7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene (PubChem CID 131863004) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
PubChem CID131863004
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
SMILESCC(C)C=C1C2CCC1N=N2
InChIInChI=1S/C9H14N2/c1-6(2)5-7-8-3-4-9(7)11-10-8/h5-6,8-9H,3-4H2,1-2H3
InChIKeyQUJQSSIODUARBH-UHFFFAOYSA-N
XLogP2.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.57
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-(1-Cyclopropylethylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 85637704
7-(3,3-Dimethylhex-5-enylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 139252731
(4Z)-3-ethyl-4-ethylidene-3,5-dihydropyrazole
CID 123454714
7-(2,2-Dimethylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene
CID 13113756
6-[(1S,4R)-2,3-diazabicyclo[2.2.1]hept-2-en-7-ylidene]hexanenitrile
CID 101666333

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene (CID 131863004) is 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene is CC(C)C=C1C2CCC1N=N2.
What is the InChIKey of 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
The InChIKey is QUJQSSIODUARBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)5-7-8-3-4-9(7)11-10-8/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene?
7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene has a molecular weight of 150.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropylidene)-2,3-diazabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 131863004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).