cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone

C11H19N3O — CID 142661553

IUPACcyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone
SMILESNC1CN(C(=O)C2=CCCCC2)CC1N
InChIInChI=1S/C11H19N3O/c12-9-6-14(7-10(9)13)11(15)8-4-2-1-3-5-8/h4,9-10H,1-3,5-7,12-13H2
InChIKeyBYODTDNEAQZZLW-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.02
Rot. Bonds1

About cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone

cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone (PubChem CID 142661553) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone
PubChem CID142661553
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Namecyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone
SMILESNC1CN(C(=O)C2=CCCCC2)CC1N
InChIInChI=1S/C11H19N3O/c12-9-6-14(7-10(9)13)11(15)8-4-2-1-3-5-8/h4,9-10H,1-3,5-7,12-13H2
InChIKeyBYODTDNEAQZZLW-UHFFFAOYSA-N
XLogP-0.02
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone?
The IUPAC name of cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone (CID 142661553) is cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone?
The canonical SMILES for cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone is NC1CN(C(=O)C2=CCCCC2)CC1N.
What is the InChIKey of cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone?
The InChIKey is BYODTDNEAQZZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c12-9-6-14(7-10(9)13)11(15)8-4-2-1-3-5-8/h4,9-10H,1-3,5-7,12-13H2.
What are the key properties of cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone?
cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone has a molecular weight of 209.29 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3,4-diaminopyrrolidin-1-yl)methanone is sourced from PubChem (CID 142661553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).