N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide

C12H21NO — CID 2828233

IUPACN-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C)NC(=O)C1C2CCCCC21
InChIInChI=1S/C12H21NO/c1-12(2,3)13-11(14)10-8-6-4-5-7-9(8)10/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyBGEOFAHNJMOPFL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds1

About N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide

N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 2828233) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID2828233
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C)NC(=O)C1C2CCCCC21
InChIInChI=1S/C12H21NO/c1-12(2,3)13-11(14)10-8-6-4-5-7-9(8)10/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyBGEOFAHNJMOPFL-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide (CID 2828233) is N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide is CC(C)(C)NC(=O)C1C2CCCCC21.
What is the InChIKey of N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is BGEOFAHNJMOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)13-11(14)10-8-6-4-5-7-9(8)10/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 2828233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).