1-azabicyclo[3.1.1]heptane-6-carboxamide

C7H12N2O — CID 126485444

IUPAC1-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESNC(=O)C1C2CCCN1C2
InChIInChI=1S/C7H12N2O/c8-7(10)6-5-2-1-3-9(6)4-5/h5-6H,1-4H2,(H2,8,10)
InChIKeyNGVALJJSWNVTRQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.43
Rot. Bonds1

About 1-azabicyclo[3.1.1]heptane-6-carboxamide

1-azabicyclo[3.1.1]heptane-6-carboxamide (PubChem CID 126485444) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-azabicyclo[3.1.1]heptane-6-carboxamide.

Molecular Properties

Compound Name1-azabicyclo[3.1.1]heptane-6-carboxamide
PubChem CID126485444
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-azabicyclo[3.1.1]heptane-6-carboxamide
SMILESNC(=O)C1C2CCCN1C2
InChIInChI=1S/C7H12N2O/c8-7(10)6-5-2-1-3-9(6)4-5/h5-6H,1-4H2,(H2,8,10)
InChIKeyNGVALJJSWNVTRQ-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.1.1]heptane-6-carboxamide?
The IUPAC name of 1-azabicyclo[3.1.1]heptane-6-carboxamide (CID 126485444) is 1-azabicyclo[3.1.1]heptane-6-carboxamide.
What is the SMILES notation for 1-azabicyclo[3.1.1]heptane-6-carboxamide?
The canonical SMILES for 1-azabicyclo[3.1.1]heptane-6-carboxamide is NC(=O)C1C2CCCN1C2.
What is the InChIKey of 1-azabicyclo[3.1.1]heptane-6-carboxamide?
The InChIKey is NGVALJJSWNVTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-7(10)6-5-2-1-3-9(6)4-5/h5-6H,1-4H2,(H2,8,10).
What are the key properties of 1-azabicyclo[3.1.1]heptane-6-carboxamide?
1-azabicyclo[3.1.1]heptane-6-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.1.1]heptane-6-carboxamide is sourced from PubChem (CID 126485444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).