bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide

C8H10N2 — CID 123990114

IUPACbicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CC2CC12
InChIInChI=1S/C8H10N2/c9-8(10)6-3-1-2-5-4-7(5)6/h1-3,5,7H,4H2,(H3,9,10)
InChIKeyTVPWAGYVKYVAAY-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.05
Rot. Bonds1

About bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide

bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide (PubChem CID 123990114) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide
PubChem CID123990114
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Namebicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide
SMILES[H]/N=C(\N)C1=CC=CC2CC12
InChIInChI=1S/C8H10N2/c9-8(10)6-3-1-2-5-4-7(5)6/h1-3,5,7H,4H2,(H3,9,10)
InChIKeyTVPWAGYVKYVAAY-UHFFFAOYSA-N
XLogP1.05
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboximidamide
CID 87317193
Bicyclo[3.1.0]hexa-1(6),2-diene-3-carboximidamide
CID 118641953
5-Methylcyclohexa-1,3-diene-1-carboximidamide
CID 121291508
5-Ethylcyclopenta-1,3-diene-1-carboximidamide
CID 122461125
4-(Aminomethyl)-6-methylcyclohexa-1,3-diene-1-carboximidamide
CID 123670945
9aH-fluorene-1-carboximidamide
CID 169034969
(2Z)-3-methyl-2-[(Z)-1-(4-methylcyclohexa-2,4-dien-1-yl)prop-1-enyl]penta-2,4-dienimidamide
CID 174352020

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide?
The IUPAC name of bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide (CID 123990114) is bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide.
What is the SMILES notation for bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide?
The canonical SMILES for bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide is [H]/N=C(\N)C1=CC=CC2CC12.
What is the InChIKey of bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide?
The InChIKey is TVPWAGYVKYVAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-8(10)6-3-1-2-5-4-7(5)6/h1-3,5,7H,4H2,(H3,9,10).
What are the key properties of bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide?
bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide has a molecular weight of 134.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-2,4-diene-2-carboximidamide is sourced from PubChem (CID 123990114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).