(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide

C11H14N2O — CID 166441037

IUPAC(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCNC(=O)[C@H]1C2C=CC(C2)[C@H]1N
InChIInChI=1S/C11H14N2O/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12/h1,3-4,7-10H,5-6,12H2,(H,13,14)/t7?,8?,9-,10+/m0/s1
InChIKeyWYJGARSLFLCBCA-HORUIINNSA-N
MW190.25 g/mol
LogP-0.11
Rot. Bonds2

About (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide

(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 166441037) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID166441037
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC#CCNC(=O)[C@H]1C2C=CC(C2)[C@H]1N
InChIInChI=1S/C11H14N2O/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12/h1,3-4,7-10H,5-6,12H2,(H,13,14)/t7?,8?,9-,10+/m0/s1
InChIKeyWYJGARSLFLCBCA-HORUIINNSA-N
XLogP-0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 166441037) is (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide is C#CCNC(=O)[C@H]1C2C=CC(C2)[C@H]1N.
What is the InChIKey of (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is WYJGARSLFLCBCA-HORUIINNSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-5-13-11(14)9-7-3-4-8(6-7)10(9)12/h1,3-4,7-10H,5-6,12H2,(H,13,14)/t7?,8?,9-,10+/m0/s1.
What are the key properties of (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 190.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 166441037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).