(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide

C8H11NO — CID 11859614

IUPAC(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H2,9,10)/t5-,6+,7+/m0/s1
InChIKeyZTUUVDYQBLRAAC-RRKCRQDMSA-N
MW137.18 g/mol
LogP0.68
Rot. Bonds1

About (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 11859614) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID11859614
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2
InChIInChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H2,9,10)/t5-,6+,7+/m0/s1
InChIKeyZTUUVDYQBLRAAC-RRKCRQDMSA-N
XLogP0.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 11859614) is (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide is NC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2.
What is the InChIKey of (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is ZTUUVDYQBLRAAC-RRKCRQDMSA-N. The full InChI is InChI=1S/C8H11NO/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H2,9,10)/t5-,6+,7+/m0/s1.
What are the key properties of (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 137.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 11859614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).