5-spiro[5.5]undecan-3-yl-3H-pyrrole

C15H23N — CID 58525396

IUPAC5-spiro[5.5]undecan-3-yl-3H-pyrrole
SMILESC1=NC(C2CCC3(CCCCC3)CC2)=CC1
InChIInChI=1S/C15H23N/c1-2-8-15(9-3-1)10-6-13(7-11-15)14-5-4-12-16-14/h5,12-13H,1-4,6-11H2
InChIKeyGYEKCLZBRHNTOX-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.49
Rot. Bonds1

About 5-spiro[5.5]undecan-3-yl-3H-pyrrole

5-spiro[5.5]undecan-3-yl-3H-pyrrole (PubChem CID 58525396) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-spiro[5.5]undecan-3-yl-3H-pyrrole.

Molecular Properties

Compound Name5-spiro[5.5]undecan-3-yl-3H-pyrrole
PubChem CID58525396
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name5-spiro[5.5]undecan-3-yl-3H-pyrrole
SMILESC1=NC(C2CCC3(CCCCC3)CC2)=CC1
InChIInChI=1S/C15H23N/c1-2-8-15(9-3-1)10-6-13(7-11-15)14-5-4-12-16-14/h5,12-13H,1-4,6-11H2
InChIKeyGYEKCLZBRHNTOX-UHFFFAOYSA-N
XLogP4.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[fluoro(spiro[5.5]undecan-3-yl)methyl]-3H-pyrrole
CID 58525405
5-(3-fluorospiro[5.5]undecan-3-yl)-3H-pyrrole
CID 58531229
5-[(4-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152617
5-[(3,5,5-trimethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152619
5-[[(2R,4aS)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]methyl]-3H-pyrrole
CID 59152622
5-[(4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)methyl]-3H-pyrrole
CID 59152627
5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
5-cycloheptyl-3H-pyrrole
CID 149765226
5-Cyclohexyl-3,3-dimethylpyrrole
CID 101003706
5-[2-(5-cyclohexylpentyl)cyclopropyl]-3H-pyrrole
CID 141854704

Frequently Asked Questions

What is the IUPAC name of 5-spiro[5.5]undecan-3-yl-3H-pyrrole?
The IUPAC name of 5-spiro[5.5]undecan-3-yl-3H-pyrrole (CID 58525396) is 5-spiro[5.5]undecan-3-yl-3H-pyrrole.
What is the SMILES notation for 5-spiro[5.5]undecan-3-yl-3H-pyrrole?
The canonical SMILES for 5-spiro[5.5]undecan-3-yl-3H-pyrrole is C1=NC(C2CCC3(CCCCC3)CC2)=CC1.
What is the InChIKey of 5-spiro[5.5]undecan-3-yl-3H-pyrrole?
The InChIKey is GYEKCLZBRHNTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-8-15(9-3-1)10-6-13(7-11-15)14-5-4-12-16-14/h5,12-13H,1-4,6-11H2.
What are the key properties of 5-spiro[5.5]undecan-3-yl-3H-pyrrole?
5-spiro[5.5]undecan-3-yl-3H-pyrrole has a molecular weight of 217.36 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[5.5]undecan-3-yl-3H-pyrrole is sourced from PubChem (CID 58525396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).