N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C13H21NO — CID 4987971

IUPACN-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NCC)CCC(C2)C1(C)C
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)
InChIKeyWWKODCHKNNHTJY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds2

About N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4987971) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4987971
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NCC)CCC(C2)C1(C)C
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)
InChIKeyWWKODCHKNNHTJY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 4987971) is N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)NCC)CCC(C2)C1(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WWKODCHKNNHTJY-UHFFFAOYSA-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).
What are the key properties of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
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 N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4987971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).