1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine

C14H22N2 — CID 13003750

IUPAC1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCC(N2CCCC2)=C1
InChIInChI=1S/C14H22N2/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-3-4-12-16/h5,7H,1-4,6,8-12H2
InChIKeyXHXGKBKBNXGHTR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine

1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine (PubChem CID 13003750) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine
PubChem CID13003750
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCC(N2CCCC2)=C1
InChIInChI=1S/C14H22N2/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-3-4-12-16/h5,7H,1-4,6,8-12H2
InChIKeyXHXGKBKBNXGHTR-UHFFFAOYSA-N
XLogP2.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine (CID 13003750) is 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine is C1=C(N2CCCC2)CCC(N2CCCC2)=C1.
What is the InChIKey of 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The InChIKey is XHXGKBKBNXGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-10-15(9-1)13-5-7-14(8-6-13)16-11-3-4-12-16/h5,7H,1-4,6,8-12H2.
What are the key properties of 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine?
1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine has a molecular weight of 218.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)pyrrolidine is sourced from PubChem (CID 13003750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).