4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide

C11H18N2O2 — CID 79208006

IUPAC4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC2CCCOC2)C1
InChIInChI=1S/C11H18N2O2/c12-9-4-3-8(6-9)11(14)13-10-2-1-5-15-7-10/h3-4,8-10H,1-2,5-7,12H2,(H,13,14)
InChIKeyIRVSHYQPELVPOL-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.19
Rot. Bonds2

About 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide

4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide (PubChem CID 79208006) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide
PubChem CID79208006
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NC2CCCOC2)C1
InChIInChI=1S/C11H18N2O2/c12-9-4-3-8(6-9)11(14)13-10-2-1-5-15-7-10/h3-4,8-10H,1-2,5-7,12H2,(H,13,14)
InChIKeyIRVSHYQPELVPOL-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 79208300
CID 79208300
CID 105909961
CID 105909961
CID 126857050
CID 126857050
CID 63869967
CID 63869967
CID 63869968
CID 63869968
CID 64767381
CID 64767381
CID 79207038
CID 79207038
CID 79207046
CID 79207046
CID 79207135
CID 79207135
CID 79207223
CID 79207223
CID 79207228
CID 79207228
CID 79207300
CID 79207300

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide (CID 79208006) is 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NC2CCCOC2)C1.
What is the InChIKey of 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide?
The InChIKey is IRVSHYQPELVPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-9-4-3-8(6-9)11(14)13-10-2-1-5-15-7-10/h3-4,8-10H,1-2,5-7,12H2,(H,13,14).
What are the key properties of 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-3-yl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79208006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).