3-(isocyanomethyl)-4-methylidenecyclopentene

C8H9N — CID 23528913

IUPAC3-(isocyanomethyl)-4-methylidenecyclopentene
SMILES[C-]#[N+]CC1C=CCC1=C
InChIInChI=1S/C8H9N/c1-7-4-3-5-8(7)6-9-2/h3,5,8H,1,4,6H2
InChIKeyFBYHPSRSJUSDMY-UHFFFAOYSA-N
MW119.17 g/mol
LogP2.04
Rot. Bonds1

About 3-(isocyanomethyl)-4-methylidenecyclopentene

3-(isocyanomethyl)-4-methylidenecyclopentene (PubChem CID 23528913) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3-(isocyanomethyl)-4-methylidenecyclopentene.

Molecular Properties

Compound Name3-(isocyanomethyl)-4-methylidenecyclopentene
PubChem CID23528913
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3-(isocyanomethyl)-4-methylidenecyclopentene
SMILES[C-]#[N+]CC1C=CCC1=C
InChIInChI=1S/C8H9N/c1-7-4-3-5-8(7)6-9-2/h3,5,8H,1,4,6H2
InChIKeyFBYHPSRSJUSDMY-UHFFFAOYSA-N
XLogP2.04
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 52.04
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

1-[(1R)-cyclopent-2-en-1-yl]-N,N-dimethylmethanamine
CID 42553501
3-(2-Isocyanoethyl)cyclohexene
CID 123828561
Cyclohex-2-en-1-ylmethyl(methylidyne)azanium
CID 163479436
4-(2-Isocyanoethyl)cyclohex-1-ene
CID 165615549
4-(Isocyanomethyl)cyclohex-1-ene
CID 165676118

Frequently Asked Questions

What is the IUPAC name of 3-(isocyanomethyl)-4-methylidenecyclopentene?
The IUPAC name of 3-(isocyanomethyl)-4-methylidenecyclopentene (CID 23528913) is 3-(isocyanomethyl)-4-methylidenecyclopentene.
What is the SMILES notation for 3-(isocyanomethyl)-4-methylidenecyclopentene?
The canonical SMILES for 3-(isocyanomethyl)-4-methylidenecyclopentene is [C-]#[N+]CC1C=CCC1=C.
What is the InChIKey of 3-(isocyanomethyl)-4-methylidenecyclopentene?
The InChIKey is FBYHPSRSJUSDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-7-4-3-5-8(7)6-9-2/h3,5,8H,1,4,6H2.
What are the key properties of 3-(isocyanomethyl)-4-methylidenecyclopentene?
3-(isocyanomethyl)-4-methylidenecyclopentene has a molecular weight of 119.17 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(isocyanomethyl)-4-methylidenecyclopentene is sourced from PubChem (CID 23528913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).