(3S)-3-methyl-3,3a-dihydro-2H-indazole

C8H10N2 — CID 89185392

IUPAC(3S)-3-methyl-3,3a-dihydro-2H-indazole
SMILESC[C@@H]1NN=C2C=CC=CC21
InChIInChI=1S/C8H10N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-7,9H,1H3/t6-,7?/m0/s1
InChIKeyROENNQSFZMTJDS-PKPIPKONSA-N
MW134.18 g/mol
LogP1.08
Rot. Bonds

About (3S)-3-methyl-3,3a-dihydro-2H-indazole

(3S)-3-methyl-3,3a-dihydro-2H-indazole (PubChem CID 89185392) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (3S)-3-methyl-3,3a-dihydro-2H-indazole.

Molecular Properties

Compound Name(3S)-3-methyl-3,3a-dihydro-2H-indazole
PubChem CID89185392
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(3S)-3-methyl-3,3a-dihydro-2H-indazole
SMILESC[C@@H]1NN=C2C=CC=CC21
InChIInChI=1S/C8H10N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-7,9H,1H3/t6-,7?/m0/s1
InChIKeyROENNQSFZMTJDS-PKPIPKONSA-N
XLogP1.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,3a-dihydro-2H-indazole?
The IUPAC name of (3S)-3-methyl-3,3a-dihydro-2H-indazole (CID 89185392) is (3S)-3-methyl-3,3a-dihydro-2H-indazole.
What is the SMILES notation for (3S)-3-methyl-3,3a-dihydro-2H-indazole?
The canonical SMILES for (3S)-3-methyl-3,3a-dihydro-2H-indazole is C[C@@H]1NN=C2C=CC=CC21.
What is the InChIKey of (3S)-3-methyl-3,3a-dihydro-2H-indazole?
The InChIKey is ROENNQSFZMTJDS-PKPIPKONSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-7-4-2-3-5-8(7)10-9-6/h2-7,9H,1H3/t6-,7?/m0/s1.
What are the key properties of (3S)-3-methyl-3,3a-dihydro-2H-indazole?
(3S)-3-methyl-3,3a-dihydro-2H-indazole has a molecular weight of 134.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,3a-dihydro-2H-indazole is sourced from PubChem (CID 89185392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).