6-pentyl-2,3-dihydro-1H-pyrrolizine

C12H19N — CID 15720827

IUPAC6-pentyl-2,3-dihydro-1H-pyrrolizine
SMILESCCCCCc1cc2n(c1)CCC2
InChIInChI=1S/C12H19N/c1-2-3-4-6-11-9-12-7-5-8-13(12)10-11/h9-10H,2-8H2,1H3
InChIKeySPPHTRZTBRIVFP-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds4

About 6-pentyl-2,3-dihydro-1H-pyrrolizine

6-pentyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 15720827) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 6-pentyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-pentyl-2,3-dihydro-1H-pyrrolizine
PubChem CID15720827
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name6-pentyl-2,3-dihydro-1H-pyrrolizine
SMILESCCCCCc1cc2n(c1)CCC2
InChIInChI=1S/C12H19N/c1-2-3-4-6-11-9-12-7-5-8-13(12)10-11/h9-10H,2-8H2,1H3
InChIKeySPPHTRZTBRIVFP-UHFFFAOYSA-N
XLogP3.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 6-pentyl-2,3-dihydro-1H-pyrrolizine (CID 15720827) is 6-pentyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 6-pentyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 6-pentyl-2,3-dihydro-1H-pyrrolizine is CCCCCc1cc2n(c1)CCC2.
What is the InChIKey of 6-pentyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is SPPHTRZTBRIVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-3-4-6-11-9-12-7-5-8-13(12)10-11/h9-10H,2-8H2,1H3.
What are the key properties of 6-pentyl-2,3-dihydro-1H-pyrrolizine?
6-pentyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 177.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 15720827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).