1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole

C9H16N2 — CID 90846587

IUPAC1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole
SMILESC=C1CCCC2CNN(C)C12
InChIInChI=1S/C9H16N2/c1-7-4-3-5-8-6-10-11(2)9(7)8/h8-10H,1,3-6H2,2H3
InChIKeyUUYKDHXXKZHEIB-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.16
Rot. Bonds

About 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole

1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole (PubChem CID 90846587) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole.

Molecular Properties

Compound Name1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole
PubChem CID90846587
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole
SMILESC=C1CCCC2CNN(C)C12
InChIInChI=1S/C9H16N2/c1-7-4-3-5-8-6-10-11(2)9(7)8/h8-10H,1,3-6H2,2H3
InChIKeyUUYKDHXXKZHEIB-UHFFFAOYSA-N
XLogP1.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazol-3-amine
CID 90816537
4-Methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
CID 90861354
1,3-dimethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91137495
1-methyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91281214
5-Methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
CID 91292382
1-ethyl-5-methylidene-3,3a,4,6,7,7a-hexahydro-2H-indazole
CID 91361943
N,3-dimethyl-1-(3-methylidene-1,2,3a,4,5,6,7,7a-octahydroindol-2-yl)butan-2-amine
CID 117925116
2-Methyl-1,3,3a,4,5,6,7,7a-octahydroindazole
CID 123423042
3-Methyl-4-methylidene-1,2,3,3a,5,6,7,7a-octahydroindazole
CID 146293665
1-iodo-3-methyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
CID 146293787
1,3-dimethyl-4-methylidene-3,3a,5,6,7,7a-hexahydro-2H-indazole
CID 146293917
4-Ethyl-1-methyl-3-(3-methylbut-3-enyl)pyrazolidine
CID 156193881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole?
The IUPAC name of 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole (CID 90846587) is 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole.
What is the SMILES notation for 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole?
The canonical SMILES for 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole is C=C1CCCC2CNN(C)C12.
What is the InChIKey of 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole?
The InChIKey is UUYKDHXXKZHEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-3-5-8-6-10-11(2)9(7)8/h8-10H,1,3-6H2,2H3.
What are the key properties of 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole?
1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole has a molecular weight of 152.24 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylidene-3,3a,4,5,6,7a-hexahydro-2H-indazole is sourced from PubChem (CID 90846587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).