1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine

C19H25N — CID 142629734

IUPAC1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESCCCCCCC1CCn2ccc(-c3ccccc3)c21
InChIInChI=1S/C19H25N/c1-2-3-4-6-11-17-12-14-20-15-13-18(19(17)20)16-9-7-5-8-10-16/h5,7-10,13,15,17H,2-4,6,11-12,14H2,1H3
InChIKeyQQVQTOZQABNXNJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.61
Rot. Bonds6

About 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine

1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine (PubChem CID 142629734) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine
PubChem CID142629734
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine
SMILESCCCCCCC1CCn2ccc(-c3ccccc3)c21
InChIInChI=1S/C19H25N/c1-2-3-4-6-11-17-12-14-20-15-13-18(19(17)20)16-9-7-5-8-10-16/h5,7-10,13,15,17H,2-4,6,11-12,14H2,1H3
InChIKeyQQVQTOZQABNXNJ-UHFFFAOYSA-N
XLogP5.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.61
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 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine (CID 142629734) is 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine is CCCCCCC1CCn2ccc(-c3ccccc3)c21.
What is the InChIKey of 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is QQVQTOZQABNXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-2-3-4-6-11-17-12-14-20-15-13-18(19(17)20)16-9-7-5-8-10-16/h5,7-10,13,15,17H,2-4,6,11-12,14H2,1H3.
What are the key properties of 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine?
1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 267.42 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-7-phenyl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 142629734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).