(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C13H21NO — CID 975265

IUPAC(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCC)C2
InChIInChI=1S/C13H21NO/c1-5-14-11(15)13-7-6-10(8-13)12(3,4)9(13)2/h10H,2,5-8H2,1,3-4H3,(H,14,15)/t10-,13-/m1/s1
InChIKeyWWKODCHKNNHTJY-ZWNOBZJWSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds2

About (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 975265) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID975265
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCC)C2
InChIInChI=1S/C13H21NO/c1-5-14-11(15)13-7-6-10(8-13)12(3,4)9(13)2/h10H,2,5-8H2,1,3-4H3,(H,14,15)/t10-,13-/m1/s1
InChIKeyWWKODCHKNNHTJY-ZWNOBZJWSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Bicyclo[2.2.1]heptane-2-carboxylic acid isobutyl-amide
CID 565668
7,7-dimethyl-3-methylidene-N-(2-methylpropyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 44396005
N-butylbicyclo[2.2.1]heptane-2-carboxamide
CID 4986879
n-Heptylbicyclo[2.2.1]heptane-2-carboxamide
CID 598367
5-(difluoromethylidene)-N-[(1-methylcyclobutyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 176327997
N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 4341540
(1S,4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 56746475
(1R,2R,4S)-N-heptylbicyclo[2.2.1]heptane-2-carboxamide
CID 97944288
N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 3394999
(1R,2S,4R)-N,1,7,7-tetramethylbicyclo[2.2.1]heptane-2-carboxamide
CID 67362491
N-ethyl-2-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 85877938
(1R)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 89323791

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 975265) is (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCC)C2.
What is the InChIKey of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WWKODCHKNNHTJY-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-14-11(15)13-7-6-10(8-13)12(3,4)9(13)2/h10H,2,5-8H2,1,3-4H3,(H,14,15)/t10-,13-/m1/s1.
What are the key properties of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 975265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).