(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide

C11H17NO2 — CID 130992166

IUPAC(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2
InChIInChI=1S/C11H17NO2/c1-2-3-12-11(14)9-5-7-4-8(9)10(13)6-7/h2,7-10,13H,1,3-6H2,(H,12,14)/t7-,8+,9-,10+/m1/s1
InChIKeyOQUCRGWQXQXAOR-RGOKHQFPSA-N
MW195.26 g/mol
LogP0.70
Rot. Bonds3

About (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 130992166) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID130992166
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide
SMILESC=CCNC(=O)[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2
InChIInChI=1S/C11H17NO2/c1-2-3-12-11(14)9-5-7-4-8(9)10(13)6-7/h2,7-10,13H,1,3-6H2,(H,12,14)/t7-,8+,9-,10+/m1/s1
InChIKeyOQUCRGWQXQXAOR-RGOKHQFPSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,6R)-N-(2-aminoethyl)-6-hydroxybicyclo[2.2.1]heptane-2-carboxamide
CID 130754169
methyl (1R,2R,4S,6R)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
CID 99564434
N-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 54017402
(1S,6R)-6-(prop-2-enylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 6993065
(1R,2R,4S,6S)-6-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 12618488
(1R,2S,3R,4R)-2-N,3-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 98532681
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583697
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
CID 4301039
1-N-(2,6-dichlorophenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131195
1-N-(4-chloro-2-methylphenyl)-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131132
(1S,2S)-2-N-phenyl-1-N-prop-2-enylcyclohex-4-ene-1,2-dicarboxamide
CID 2054823
1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
CID 67355505

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide (CID 130992166) is (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide is C=CCNC(=O)[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2.
What is the InChIKey of (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OQUCRGWQXQXAOR-RGOKHQFPSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-12-11(14)9-5-7-4-8(9)10(13)6-7/h2,7-10,13H,1,3-6H2,(H,12,14)/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,6S)-6-hydroxy-N-prop-2-enylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 130992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).