3-amino-N-pentyloxolane-3-carboxamide

C10H20N2O2 — CID 64891083

IUPAC3-amino-N-pentyloxolane-3-carboxamide
SMILESCCCCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-6-12-9(13)10(11)5-7-14-8-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyRCYMCXUZUONPGS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds5

About 3-amino-N-pentyloxolane-3-carboxamide

3-amino-N-pentyloxolane-3-carboxamide (PubChem CID 64891083) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-N-pentyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentyloxolane-3-carboxamide
PubChem CID64891083
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-N-pentyloxolane-3-carboxamide
SMILESCCCCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H20N2O2/c1-2-3-4-6-12-9(13)10(11)5-7-14-8-10/h2-8,11H2,1H3,(H,12,13)
InChIKeyRCYMCXUZUONPGS-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-pentyloxolane-3-carboxamide (CID 64891083) is 3-amino-N-pentyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-pentyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-pentyloxolane-3-carboxamide is CCCCCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-pentyloxolane-3-carboxamide?
The InChIKey is RCYMCXUZUONPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-4-6-12-9(13)10(11)5-7-14-8-10/h2-8,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-pentyloxolane-3-carboxamide?
3-amino-N-pentyloxolane-3-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentyloxolane-3-carboxamide is sourced from PubChem (CID 64891083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).