(1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one

C14H18N2O — CID 166021816

IUPAC(1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one
SMILESCC[C@]12C[C@H]1c1ncc(C(C)C)cc1NC2=O
InChIInChI=1S/C14H18N2O/c1-4-14-6-10(14)12-11(16-13(14)17)5-9(7-15-12)8(2)3/h5,7-8,10H,4,6H2,1-3H3,(H,16,17)/t10-,14-/m0/s1
InChIKeyWUVLOBYIRGYGLJ-HZMBPMFUSA-N
MW230.31 g/mol
LogP3.04
Rot. Bonds2

About (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one

(1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one (PubChem CID 166021816) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name(1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one
PubChem CID166021816
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one
SMILESCC[C@]12C[C@H]1c1ncc(C(C)C)cc1NC2=O
InChIInChI=1S/C14H18N2O/c1-4-14-6-10(14)12-11(16-13(14)17)5-9(7-15-12)8(2)3/h5,7-8,10H,4,6H2,1-3H3,(H,16,17)/t10-,14-/m0/s1
InChIKeyWUVLOBYIRGYGLJ-HZMBPMFUSA-N
XLogP3.04
TPSA41.99 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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one?
The IUPAC name of (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one (CID 166021816) is (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one.
What is the SMILES notation for (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one?
The canonical SMILES for (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one is CC[C@]12C[C@H]1c1ncc(C(C)C)cc1NC2=O.
What is the InChIKey of (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one?
The InChIKey is WUVLOBYIRGYGLJ-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-14-6-10(14)12-11(16-13(14)17)5-9(7-15-12)8(2)3/h5,7-8,10H,4,6H2,1-3H3,(H,16,17)/t10-,14-/m0/s1.
What are the key properties of (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one?
(1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bR)-1a-ethyl-5-propan-2-yl-3,7b-dihydro-1H-cyclopropa[c][1,5]naphthyridin-2-one is sourced from PubChem (CID 166021816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).