(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

C14H18N2O — CID 66394637

IUPAC(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESCCC1(N)CN(C(=O)C2Cc3ccccc32)C1
InChIInChI=1S/C14H18N2O/c1-2-14(15)8-16(9-14)13(17)12-7-10-5-3-4-6-11(10)12/h3-6,12H,2,7-9,15H2,1H3
InChIKeyGNXVJPLQNQXMCL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.28
Rot. Bonds2

About (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (PubChem CID 66394637) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.

Molecular Properties

Compound Name(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
PubChem CID66394637
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESCCC1(N)CN(C(=O)C2Cc3ccccc32)C1
InChIInChI=1S/C14H18N2O/c1-2-14(15)8-16(9-14)13(17)12-7-10-5-3-4-6-11(10)12/h3-6,12H,2,7-9,15H2,1H3
InChIKeyGNXVJPLQNQXMCL-UHFFFAOYSA-N
XLogP1.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The IUPAC name of (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (CID 66394637) is (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.
What is the SMILES notation for (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The canonical SMILES for (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is CCC1(N)CN(C(=O)C2Cc3ccccc32)C1.
What is the InChIKey of (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The InChIKey is GNXVJPLQNQXMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-14(15)8-16(9-14)13(17)12-7-10-5-3-4-6-11(10)12/h3-6,12H,2,7-9,15H2,1H3.
What are the key properties of (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
(3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-ethylazetidin-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is sourced from PubChem (CID 66394637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).