6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine

C8H13N — CID 58718217

IUPAC6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine
SMILESCC1=CN2CCCC2C1
InChIInChI=1S/C8H13N/c1-7-5-8-3-2-4-9(8)6-7/h6,8H,2-5H2,1H3
InChIKeyUZBCPNHUENAXCA-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.76
Rot. Bonds

About 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine

6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine (PubChem CID 58718217) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine
PubChem CID58718217
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine
SMILESCC1=CN2CCCC2C1
InChIInChI=1S/C8H13N/c1-7-5-8-3-2-4-9(8)6-7/h6,8H,2-5H2,1H3
InChIKeyUZBCPNHUENAXCA-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(cyclohexylidenemethyl)-2-methylpyrrolidine
CID 134854101
(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
CID 134855165
1-Methyl-2-prop-1-en-2-ylpyrrolidine
CID 58128415
(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
CID 89010879
1-Methyl-2-(2-methylprop-2-enyl)pyrrolidine
CID 89081846
(2R)-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 89224311
1,4,6-trimethyl-2,3,7,8-tetrahydro-1H-pyrrolizin-4-ium
CID 89408035
1-Methyl-2-(3-methylbut-3-enyl)pyrrolidine
CID 89426426
(2S)-1-methyl-4-methylidene-2-prop-1-en-2-ylpyrrolidine
CID 89887868
2-But-1-en-2-yl-1-methylpyrrolidine
CID 129171776
2-(2-Methylprop-2-enyl)-1-propan-2-ylpyrrolidine
CID 129272851
(2S)-1-methyl-2-(3-methylbut-3-enyl)pyrrolidine
CID 134417932

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine (CID 58718217) is 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine is CC1=CN2CCCC2C1.
What is the InChIKey of 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine?
The InChIKey is UZBCPNHUENAXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-5-8-3-2-4-9(8)6-7/h6,8H,2-5H2,1H3.
What are the key properties of 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine?
6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine has a molecular weight of 123.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,7,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 58718217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).