4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide

C11H17N3O3 — CID 83101702

IUPAC4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H17N3O3/c12-8-2-1-7(5-8)11(16)14-3-4-17-6-9(14)10(13)15/h1-2,7-9H,3-6,12H2,(H2,13,15)
InChIKeyWKFPYVNVNMRVGE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.40
Rot. Bonds2

About 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide

4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide (PubChem CID 83101702) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide
PubChem CID83101702
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H17N3O3/c12-8-2-1-7(5-8)11(16)14-3-4-17-6-9(14)10(13)15/h1-2,7-9H,3-6,12H2,(H2,13,15)
InChIKeyWKFPYVNVNMRVGE-UHFFFAOYSA-N
XLogP-1.40
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminocyclopent-2-ene-1-carbonyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83097662
(4-aminocyclopent-2-en-1-yl)-(3-methylmorpholin-4-yl)methanone
CID 79211164
4-(3-amino-4-methylcyclohexanecarbonyl)morpholine-3-carboxamide
CID 83095670
4-[3-(aminomethyl)cyclohexanecarbonyl]morpholine-3-carboxamide
CID 83095299
4-(piperidine-2-carbonyl)morpholine-3-carboxamide
CID 83101241
4-(2-aminopropanoyl)morpholine-3-carboxamide
CID 83101341
4-(5-oxopyrrolidine-3-carbonyl)morpholine-3-carboxamide
CID 83093489
4-[3-(3-aminocyclohexyl)propanoyl]morpholine-3-carboxamide
CID 83096617
4-(3-amino-3-sulfanylidenepropanoyl)morpholine-3-carboxamide
CID 83101281
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)morpholine-3-carboxamide
CID 83102064
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide (CID 83101702) is 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide?
The InChIKey is WKFPYVNVNMRVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-8-2-1-7(5-8)11(16)14-3-4-17-6-9(14)10(13)15/h1-2,7-9H,3-6,12H2,(H2,13,15).
What are the key properties of 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide?
4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclopent-2-ene-1-carbonyl)morpholine-3-carboxamide is sourced from PubChem (CID 83101702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).