7a-Methyl-hexahydro-pyrrolizine

C8H15N — CID 13759523

IUPAC8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC12CCCN1CCC2
InChIInChI=1S/C8H15N/c1-8-4-2-6-9(8)7-3-5-8/h2-7H2,1H3
InChIKeyWMIQPDMHTHVDKI-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.50
Rot. Bonds

About 7a-Methyl-hexahydro-pyrrolizine

7a-Methyl-hexahydro-pyrrolizine (PubChem CID 13759523) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name7a-Methyl-hexahydro-pyrrolizine
PubChem CID13759523
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC12CCCN1CCC2
InChIInChI=1S/C8H15N/c1-8-4-2-6-9(8)7-3-5-8/h2-7H2,1H3
InChIKeyWMIQPDMHTHVDKI-UHFFFAOYSA-N
XLogP1.50
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heliotridane
CID 11094614
1-Methylhexahydro-1H-pyrrolizine
CID 15559671
hexahydro-1H-pyrrolizine-7a-carbonitrile
CID 11029899
2-Methylhexahydro-1h-pyrrolizine
CID 231455
(2S,8R)-2-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10877118
rel-(1R,7aS)-1-methylhexahydro-1H-pyrrolizine
CID 639426
(3R,8R)-3,8-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 10773056
(1R,8R)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 11643928
(1S,7AR)-1-methylhexahydro-1H-pyrrolizine
CID 11815356
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl-trimethylstannane
CID 134999175
(1S,8R)-1-(deuteriomethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 135059859
Dimethylpyrrolizidine
CID 89262386

Frequently Asked Questions

What is the IUPAC name of 7a-Methyl-hexahydro-pyrrolizine?
The IUPAC name of 7a-Methyl-hexahydro-pyrrolizine (CID 13759523) is 8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 7a-Methyl-hexahydro-pyrrolizine?
The canonical SMILES for 7a-Methyl-hexahydro-pyrrolizine is CC12CCCN1CCC2.
What is the InChIKey of 7a-Methyl-hexahydro-pyrrolizine?
The InChIKey is WMIQPDMHTHVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8-4-2-6-9(8)7-3-5-8/h2-7H2,1H3.
What are the key properties of 7a-Methyl-hexahydro-pyrrolizine?
7a-Methyl-hexahydro-pyrrolizine has a molecular weight of 125.21 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-Methyl-hexahydro-pyrrolizine is sourced from PubChem (CID 13759523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).