(5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one

C18H15N3O2 — CID 822516

IUPAC(5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
SMILESCC1=NN2[C@H](C1)c1ccccc1O[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C18H15N3O2/c1-11-10-15-12-6-2-5-9-16(12)23-18(21(15)20-11)13-7-3-4-8-14(13)19-17(18)22/h2-9,15H,10H2,1H3,(H,19,22)/t15-,18+/m1/s1
InChIKeyIZQJQGFPFAKZIU-QAPCUYQASA-N
MW305.34 g/mol
LogP3.01
Rot. Bonds

About (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one

(5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one (PubChem CID 822516) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name(5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
PubChem CID822516
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name(5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
SMILESCC1=NN2[C@H](C1)c1ccccc1O[C@@]21C(=O)Nc2ccccc21
InChIInChI=1S/C18H15N3O2/c1-11-10-15-12-6-2-5-9-16(12)23-18(21(15)20-11)13-7-3-4-8-14(13)19-17(18)22/h2-9,15H,10H2,1H3,(H,19,22)/t15-,18+/m1/s1
InChIKeyIZQJQGFPFAKZIU-QAPCUYQASA-N
XLogP3.01
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
The IUPAC name of (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one (CID 822516) is (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one.
What is the SMILES notation for (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
The canonical SMILES for (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one is CC1=NN2[C@H](C1)c1ccccc1O[C@@]21C(=O)Nc2ccccc21.
What is the InChIKey of (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
The InChIKey is IZQJQGFPFAKZIU-QAPCUYQASA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-10-15-12-6-2-5-9-16(12)23-18(21(15)20-11)13-7-3-4-8-14(13)19-17(18)22/h2-9,15H,10H2,1H3,(H,19,22)/t15-,18+/m1/s1.
What are the key properties of (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one?
(5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one has a molecular weight of 305.34 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bR)-2-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one is sourced from PubChem (CID 822516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).