(6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone

C11H18N2O — CID 57137224

IUPAC(6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
SMILESNC1CC=CCC1C(=O)N1CCCC1
InChIInChI=1S/C11H18N2O/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,9-10H,3-8,12H2
InChIKeyGLAVJVCIFXRYPX-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.90
Rot. Bonds1

About (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone

(6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 57137224) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID57137224
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone
SMILESNC1CC=CCC1C(=O)N1CCCC1
InChIInChI=1S/C11H18N2O/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,9-10H,3-8,12H2
InChIKeyGLAVJVCIFXRYPX-UHFFFAOYSA-N
XLogP0.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone (CID 57137224) is (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone is NC1CC=CCC1C(=O)N1CCCC1.
What is the InChIKey of (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GLAVJVCIFXRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,9-10H,3-8,12H2.
What are the key properties of (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone?
(6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 194.28 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminocyclohex-3-en-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 57137224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).