4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline

C12H11NO — CID 87298764

IUPAC4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline
SMILESC1=CC2NC=c3ccccc3=C2CO1
InChIInChI=1S/C12H11NO/c1-2-4-10-9(3-1)7-13-12-5-6-14-8-11(10)12/h1-7,12-13H,8H2
InChIKeyJMZXCNDYELTFRS-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.09
Rot. Bonds

About 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline

4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline (PubChem CID 87298764) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline.

Molecular Properties

Compound Name4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline
PubChem CID87298764
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline
SMILESC1=CC2NC=c3ccccc3=C2CO1
InChIInChI=1S/C12H11NO/c1-2-4-10-9(3-1)7-13-12-5-6-14-8-11(10)12/h1-7,12-13H,8H2
InChIKeyJMZXCNDYELTFRS-UHFFFAOYSA-N
XLogP0.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dihydro-4H-pyrano[3,2-c]pyridine
CID 19878069
6a,7-dihydro-4H-pyrano[2,3-f]quinoline
CID 19971625
10H-pyrano[3,2-h]quinoline
CID 19971632
8,8a-dihydro-4H-pyrano[2,3-b]pyridine
CID 69680079
(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine
CID 70499730
10a,12a-dihydro-1H-isochromeno[3,4-f]quinoline
CID 88021724
6a,7-dihydro-4H-pyrido[2,3-h][1,4]benzoxazine
CID 88185965
9,9a-dihydro-4H-pyrano[3,2-g]quinoline
CID 88691504
6,7-dihydro-1H-pyrano[3,4-c]pyridine
CID 90319457
1,6-dimethoxy-2-methyl-4a,5-dihydro-1H-benzo[c][1,6]naphthyridine
CID 91013213
2,4-Dimethyl-5-propoxy-1,8a-dihydroquinoline
CID 145509690
5,6,7,8-tetrahydro-1H-pyrano[3,4-c]pyridine
CID 153854941

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline?
The IUPAC name of 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline (CID 87298764) is 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline.
What is the SMILES notation for 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline?
The canonical SMILES for 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline is C1=CC2NC=c3ccccc3=C2CO1.
What is the InChIKey of 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline?
The InChIKey is JMZXCNDYELTFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-4-10-9(3-1)7-13-12-5-6-14-8-11(10)12/h1-7,12-13H,8H2.
What are the key properties of 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline?
4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline has a molecular weight of 185.23 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-1H-pyrano[4,3-c]isoquinoline is sourced from PubChem (CID 87298764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).