ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline

C14H20N2 — CID 176971846

IUPACethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline
SMILESCC.CC(C)c1cc2c(nn1)=CC1CC1C=2
InChIInChI=1S/C12H14N2.C2H6/c1-7(2)11-6-10-4-8-3-9(8)5-12(10)14-13-11;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyHCYCYPBRHOMCOI-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.84
Rot. Bonds1

About ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline

ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline (PubChem CID 176971846) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline.

Molecular Properties

Compound Nameethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline
PubChem CID176971846
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Nameethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline
SMILESCC.CC(C)c1cc2c(nn1)=CC1CC1C=2
InChIInChI=1S/C12H14N2.C2H6/c1-7(2)11-6-10-4-8-3-9(8)5-12(10)14-13-11;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyHCYCYPBRHOMCOI-UHFFFAOYSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline?
The IUPAC name of ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline (CID 176971846) is ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline.
What is the SMILES notation for ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline?
The canonical SMILES for ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline is CC.CC(C)c1cc2c(nn1)=CC1CC1C=2.
What is the InChIKey of ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline?
The InChIKey is HCYCYPBRHOMCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C2H6/c1-7(2)11-6-10-4-8-3-9(8)5-12(10)14-13-11;1-2/h4-9H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline?
ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline has a molecular weight of 216.33 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-6,6a-dihydro-5aH-cyclopropa[g]cinnoline is sourced from PubChem (CID 176971846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).