3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide

C8H12N2O — CID 2724816

IUPAC3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)C1C2C=CC(C2)C1N
InChIInChI=1S/C8H12N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h1-2,4-7H,3,9H2,(H2,10,11)
InChIKeySCQSHSJVMGGQKR-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.38
Rot. Bonds1

About 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide

3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 2724816) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID2724816
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)C1C2C=CC(C2)C1N
InChIInChI=1S/C8H12N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h1-2,4-7H,3,9H2,(H2,10,11)
InChIKeySCQSHSJVMGGQKR-UHFFFAOYSA-N
XLogP-0.38
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 2724816) is 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide is NC(=O)C1C2C=CC(C2)C1N.
What is the InChIKey of 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is SCQSHSJVMGGQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-7-5-2-1-4(3-5)6(7)8(10)11/h1-2,4-7H,3,9H2,(H2,10,11).
What are the key properties of 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide?
3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 152.20 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 2724816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).