(1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H16N2O — CID 91427416

IUPAC(1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESN[C@H]1[C@@H](C(=O)NC2CC2)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H16N2O/c12-10-7-2-1-6(5-7)9(10)11(14)13-8-3-4-8/h1-2,6-10H,3-5,12H2,(H,13,14)/t6-,7+,9+,10-/m1/s1
InChIKeyCFVYADZPGRGVDA-GOZTYBTRSA-N
MW192.26 g/mol
LogP0.41
Rot. Bonds2

About (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 91427416) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID91427416
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESN[C@H]1[C@@H](C(=O)NC2CC2)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H16N2O/c12-10-7-2-1-6(5-7)9(10)11(14)13-8-3-4-8/h1-2,6-10H,3-5,12H2,(H,13,14)/t6-,7+,9+,10-/m1/s1
InChIKeyCFVYADZPGRGVDA-GOZTYBTRSA-N
XLogP0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.41
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 (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 91427416) is (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide is N[C@H]1[C@@H](C(=O)NC2CC2)[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is CFVYADZPGRGVDA-GOZTYBTRSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-7-2-1-6(5-7)9(10)11(14)13-8-3-4-8/h1-2,6-10H,3-5,12H2,(H,13,14)/t6-,7+,9+,10-/m1/s1.
What are the key properties of (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-3-amino-N-cyclopropylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 91427416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).