N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C10H16N2O — CID 60965883

IUPACN-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C10H16N2O/c11-3-4-12-10(13)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,11H2,(H,12,13)
InChIKeyLFJIEHZYJJKVLP-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.27
Rot. Bonds3

About N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 60965883) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID60965883
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNCCNC(=O)C1CC2C=CC1C2
InChIInChI=1S/C10H16N2O/c11-3-4-12-10(13)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,11H2,(H,12,13)
InChIKeyLFJIEHZYJJKVLP-UHFFFAOYSA-N
XLogP0.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.27
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 N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 60965883) is N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is NCCNC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is LFJIEHZYJJKVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-3-4-12-10(13)9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 60965883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).