2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide

C11H16N2O — CID 173256661

IUPAC2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide
SMILESNC1=C(C(=O)NC2CCC2)CCC=C1
InChIInChI=1S/C11H16N2O/c12-10-7-2-1-6-9(10)11(14)13-8-4-3-5-8/h2,7-8H,1,3-6,12H2,(H,13,14)
InChIKeyUWVSORUFBBWSQA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide

2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 173256661) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide
PubChem CID173256661
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide
SMILESNC1=C(C(=O)NC2CCC2)CCC=C1
InChIInChI=1S/C11H16N2O/c12-10-7-2-1-6-9(10)11(14)13-8-4-3-5-8/h2,7-8H,1,3-6,12H2,(H,13,14)
InChIKeyUWVSORUFBBWSQA-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide (CID 173256661) is 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide is NC1=C(C(=O)NC2CCC2)CCC=C1.
What is the InChIKey of 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is UWVSORUFBBWSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-7-2-1-6-9(10)11(14)13-8-4-3-5-8/h2,7-8H,1,3-6,12H2,(H,13,14).
What are the key properties of 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide?
2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 192.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 173256661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).