7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine

C15H24N2 — CID 90793977

IUPAC7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine
SMILES[H]/N=C1/C=C2CCC(N3CCCC3)CCC2CC1
InChIInChI=1S/C15H24N2/c16-14-6-3-12-4-7-15(8-5-13(12)11-14)17-9-1-2-10-17/h11-12,15-16H,1-10H2/b16-14+
InChIKeyVBCSGCROCNEBAG-JQIJEIRASA-N
MW232.37 g/mol
LogP3.38
Rot. Bonds1

About 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine

7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine (PubChem CID 90793977) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine
PubChem CID90793977
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine
SMILES[H]/N=C1/C=C2CCC(N3CCCC3)CCC2CC1
InChIInChI=1S/C15H24N2/c16-14-6-3-12-4-7-15(8-5-13(12)11-14)17-9-1-2-10-17/h11-12,15-16H,1-10H2/b16-14+
InChIKeyVBCSGCROCNEBAG-JQIJEIRASA-N
XLogP3.38
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine?
The IUPAC name of 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine (CID 90793977) is 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine.
What is the SMILES notation for 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine?
The canonical SMILES for 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine is [H]/N=C1/C=C2CCC(N3CCCC3)CCC2CC1.
What is the InChIKey of 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine?
The InChIKey is VBCSGCROCNEBAG-JQIJEIRASA-N. The full InChI is InChI=1S/C15H24N2/c16-14-6-3-12-4-7-15(8-5-13(12)11-14)17-9-1-2-10-17/h11-12,15-16H,1-10H2/b16-14+.
What are the key properties of 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine?
7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine has a molecular weight of 232.37 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-1,2,5,6,7,8,9,9a-octahydrobenzo[7]annulen-3-imine is sourced from PubChem (CID 90793977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).