1-(cyclohexen-1-yl)pyrrolidin-1-ium

C10H18N+ — CID 6993638

IUPAC1-(cyclohexen-1-yl)pyrrolidin-1-ium
SMILESC1=C([NH+]2CCCC2)CCCC1
InChIInChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2/p+1
InChIKeyKTZNVZJECQAMBV-UHFFFAOYSA-O
MW152.26 g/mol
LogP1.12
Rot. Bonds1

About 1-(cyclohexen-1-yl)pyrrolidin-1-ium

1-(cyclohexen-1-yl)pyrrolidin-1-ium (PubChem CID 6993638) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)pyrrolidin-1-ium.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)pyrrolidin-1-ium
PubChem CID6993638
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name1-(cyclohexen-1-yl)pyrrolidin-1-ium
SMILESC1=C([NH+]2CCCC2)CCCC1
InChIInChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2/p+1
InChIKeyKTZNVZJECQAMBV-UHFFFAOYSA-O
XLogP1.12
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)pyrrolidin-1-ium?
The IUPAC name of 1-(cyclohexen-1-yl)pyrrolidin-1-ium (CID 6993638) is 1-(cyclohexen-1-yl)pyrrolidin-1-ium.
What is the SMILES notation for 1-(cyclohexen-1-yl)pyrrolidin-1-ium?
The canonical SMILES for 1-(cyclohexen-1-yl)pyrrolidin-1-ium is C1=C([NH+]2CCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)pyrrolidin-1-ium?
The InChIKey is KTZNVZJECQAMBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2/p+1.
What are the key properties of 1-(cyclohexen-1-yl)pyrrolidin-1-ium?
1-(cyclohexen-1-yl)pyrrolidin-1-ium has a molecular weight of 152.26 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)pyrrolidin-1-ium is sourced from PubChem (CID 6993638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).