bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine

C7H7N — CID 163502937

IUPACbicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
SMILESNc1ccc2c(c1)C2
InChIInChI=1S/C7H7N/c8-7-2-1-5-3-6(5)4-7/h1-2,4H,3,8H2
InChIKeyCWGJCLGRSJRBBA-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.17
Rot. Bonds

About bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine

bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine (PubChem CID 163502937) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
PubChem CID163502937
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Namebicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine
SMILESNc1ccc2c(c1)C2
InChIInChI=1S/C7H7N/c8-7-2-1-5-3-6(5)4-7/h1-2,4H,3,8H2
InChIKeyCWGJCLGRSJRBBA-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene-2,7-diamine
CID 10679
9H-fluorene-2,7-diamine;tetrahydrochloride
CID 140751459
9H-fluorene-3,6-diamine
CID 23110770
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 11116040
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;hydrochloride
CID 91844882
9H-fluoren-2-amine;hydrobromide
CID 141482724
11-methylidene-10,12-dihydro-5H-benzo[d][1]benzazocin-2-amine
CID 144662163
ethane;9H-fluoren-2-amine
CID 142950354
9,10-dihydroacridine-2,6-diamine
CID 138605968
7-ethynyl-9H-fluoren-2-amine
CID 118494896
7-(4-methylphenyl)-9H-fluoren-2-amine
CID 59742324
2-N-iodo-9H-fluorene-2,7-diamine
CID 163741687

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
The IUPAC name of bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine (CID 163502937) is bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine.
What is the SMILES notation for bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
The canonical SMILES for bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine is Nc1ccc2c(c1)C2.
What is the InChIKey of bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
The InChIKey is CWGJCLGRSJRBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c8-7-2-1-5-3-6(5)4-7/h1-2,4H,3,8H2.
What are the key properties of bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine?
bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine has a molecular weight of 105.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1(6),2,4-trien-3-amine is sourced from PubChem (CID 163502937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).