(1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide

C13H21NO — CID 11447099

IUPAC(1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1CC[C@H]2CCC=C[C@@]21C
InChIInChI=1S/C13H21NO/c1-13-9-5-4-6-10(13)7-8-11(13)12(15)14(2)3/h5,9-11H,4,6-8H2,1-3H3/t10-,11+,13+/m1/s1
InChIKeyXEGNZUSCHCQGFX-MDZLAQPJSA-N
MW207.32 g/mol
LogP2.46
Rot. Bonds1

About (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide

(1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide (PubChem CID 11447099) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide.

Molecular Properties

Compound Name(1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide
PubChem CID11447099
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide
SMILESCN(C)C(=O)[C@@H]1CC[C@H]2CCC=C[C@@]21C
InChIInChI=1S/C13H21NO/c1-13-9-5-4-6-10(13)7-8-11(13)12(15)14(2)3/h5,9-11H,4,6-8H2,1-3H3/t10-,11+,13+/m1/s1
InChIKeyXEGNZUSCHCQGFX-MDZLAQPJSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
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,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide?
The IUPAC name of (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide (CID 11447099) is (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide.
What is the SMILES notation for (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide?
The canonical SMILES for (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide is CN(C)C(=O)[C@@H]1CC[C@H]2CCC=C[C@@]21C.
What is the InChIKey of (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide?
The InChIKey is XEGNZUSCHCQGFX-MDZLAQPJSA-N. The full InChI is InChI=1S/C13H21NO/c1-13-9-5-4-6-10(13)7-8-11(13)12(15)14(2)3/h5,9-11H,4,6-8H2,1-3H3/t10-,11+,13+/m1/s1.
What are the key properties of (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide?
(1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide has a molecular weight of 207.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aR,7aR)-N,N,7a-trimethyl-1,2,3,3a,4,5-hexahydroindene-1-carboxamide is sourced from PubChem (CID 11447099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).