1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine

C14H21N — CID 15154047

IUPAC1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine
SMILESC1=C2C=C(N3CCCC3)CCC2CCC1
InChIInChI=1S/C14H21N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h6,11-12H,1-5,7-10H2
InChIKeyCRESZXAMUKKDBG-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.49
Rot. Bonds1

About 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine

1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine (PubChem CID 15154047) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine
PubChem CID15154047
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine
SMILESC1=C2C=C(N3CCCC3)CCC2CCC1
InChIInChI=1S/C14H21N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h6,11-12H,1-5,7-10H2
InChIKeyCRESZXAMUKKDBG-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine (CID 15154047) is 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine is C1=C2C=C(N3CCCC3)CCC2CCC1.
What is the InChIKey of 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine?
The InChIKey is CRESZXAMUKKDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h6,11-12H,1-5,7-10H2.
What are the key properties of 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine?
1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 15154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).