(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone

C11H18N2O — CID 165439776

IUPAC(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone
SMILESNC12CCC1CN(C(=O)C1CCC1)C2
InChIInChI=1S/C11H18N2O/c12-11-5-4-9(11)6-13(7-11)10(14)8-2-1-3-8/h8-9H,1-7,12H2
InChIKeyPANTXUIMZMCIAX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.74
Rot. Bonds1

About (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone

(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone (PubChem CID 165439776) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone.

Molecular Properties

Compound Name(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone
PubChem CID165439776
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone
SMILESNC12CCC1CN(C(=O)C1CCC1)C2
InChIInChI=1S/C11H18N2O/c12-11-5-4-9(11)6-13(7-11)10(14)8-2-1-3-8/h8-9H,1-7,12H2
InChIKeyPANTXUIMZMCIAX-UHFFFAOYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone?
The IUPAC name of (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone (CID 165439776) is (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone.
What is the SMILES notation for (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone?
The canonical SMILES for (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone is NC12CCC1CN(C(=O)C1CCC1)C2.
What is the InChIKey of (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone?
The InChIKey is PANTXUIMZMCIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-11-5-4-9(11)6-13(7-11)10(14)8-2-1-3-8/h8-9H,1-7,12H2.
What are the key properties of (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone?
(1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone has a molecular weight of 194.28 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-azabicyclo[3.2.0]heptan-3-yl)-cyclobutylmethanone is sourced from PubChem (CID 165439776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).