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

C9H13NO — CID 98055767

IUPAC(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC[C@@]1(C(N)=O)C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C9H13NO/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H2,10,11)/t6-,7-,9+/m0/s1
InChIKeyLUARJZGXWCWEEU-ACLDMZEESA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds1

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

(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98055767) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98055767
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESC[C@@]1(C(N)=O)C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C9H13NO/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H2,10,11)/t6-,7-,9+/m0/s1
InChIKeyLUARJZGXWCWEEU-ACLDMZEESA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.07
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 (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98055767) is (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is C[C@@]1(C(N)=O)C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is LUARJZGXWCWEEU-ACLDMZEESA-N. The full InChI is InChI=1S/C9H13NO/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H2,10,11)/t6-,7-,9+/m0/s1.
What are the key properties of (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 151.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98055767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).