1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene

C10H10N2 — CID 139754056

IUPAC1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene
SMILES[C-]#[N+]C([N+]#[C-])C12C=CC(CC1)C2
InChIInChI=1S/C10H10N2/c1-11-9(12-2)10-5-3-8(7-10)4-6-10/h3,5,8-9H,4,6-7H2
InChIKeyNQMPHRHGNQLBMS-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.51
Rot. Bonds1

About 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene

1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 139754056) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID139754056
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene
SMILES[C-]#[N+]C([N+]#[C-])C12C=CC(CC1)C2
InChIInChI=1S/C10H10N2/c1-11-9(12-2)10-5-3-8(7-10)4-6-10/h3,5,8-9H,4,6-7H2
InChIKeyNQMPHRHGNQLBMS-UHFFFAOYSA-N
XLogP2.51
TPSA8.72 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N,N',N'-tetraethylbutanediamide
CID 141218611
2-(1-bicyclo[2.2.1]hept-2-enyl)-N,N',N'-trimethylbutanediamide
CID 141218610
1-phenylbicyclo[2.2.1]hept-2-ene
CID 22468352
bicyclo[2.2.1]hept-2-ene-1-carbonitrile
CID 19737575
1-bicyclo[2.2.1]hept-2-enyl(trimethyl)silane
CID 66700380
1-phenylbicyclo[2.2.1]hept-2-ene;toluene
CID 86643590
ethane;1-[(4-methylphenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 143799538
2-(1-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 141481605
1-bicyclo[2.2.1]hept-2-enylmethoxy-ethyl-dimethoxysilane
CID 141272165
1-bicyclo[2.2.1]hept-2-enylmethanimine
CID 88729991
1-bicyclo[2.2.1]hept-2-enyl(phenyl)methanone
CID 13440469
1-(2-methylcyclopentyl)bicyclo[2.2.1]hept-2-ene
CID 21426215

Frequently Asked Questions

What is the IUPAC name of 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene (CID 139754056) is 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene is [C-]#[N+]C([N+]#[C-])C12C=CC(CC1)C2.
What is the InChIKey of 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is NQMPHRHGNQLBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-11-9(12-2)10-5-3-8(7-10)4-6-10/h3,5,8-9H,4,6-7H2.
What are the key properties of 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene?
1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 158.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diisocyanomethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 139754056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).