2-[3-(methylamino)propyl]oxolane-2-carboxamide

C9H18N2O2 — CID 141124171

IUPAC2-[3-(methylamino)propyl]oxolane-2-carboxamide
SMILESCNCCCC1(C(N)=O)CCCO1
InChIInChI=1S/C9H18N2O2/c1-11-6-2-4-9(8(10)12)5-3-7-13-9/h11H,2-7H2,1H3,(H2,10,12)
InChIKeyWCKDEBKPDNHPQQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.02
Rot. Bonds5

About 2-[3-(methylamino)propyl]oxolane-2-carboxamide

2-[3-(methylamino)propyl]oxolane-2-carboxamide (PubChem CID 141124171) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[3-(methylamino)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-[3-(methylamino)propyl]oxolane-2-carboxamide
PubChem CID141124171
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[3-(methylamino)propyl]oxolane-2-carboxamide
SMILESCNCCCC1(C(N)=O)CCCO1
InChIInChI=1S/C9H18N2O2/c1-11-6-2-4-9(8(10)12)5-3-7-13-9/h11H,2-7H2,1H3,(H2,10,12)
InChIKeyWCKDEBKPDNHPQQ-UHFFFAOYSA-N
XLogP0.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.02
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 2-[3-(methylamino)propyl]oxolane-2-carboxamide?
The IUPAC name of 2-[3-(methylamino)propyl]oxolane-2-carboxamide (CID 141124171) is 2-[3-(methylamino)propyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-[3-(methylamino)propyl]oxolane-2-carboxamide?
The canonical SMILES for 2-[3-(methylamino)propyl]oxolane-2-carboxamide is CNCCCC1(C(N)=O)CCCO1.
What is the InChIKey of 2-[3-(methylamino)propyl]oxolane-2-carboxamide?
The InChIKey is WCKDEBKPDNHPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-6-2-4-9(8(10)12)5-3-7-13-9/h11H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-[3-(methylamino)propyl]oxolane-2-carboxamide?
2-[3-(methylamino)propyl]oxolane-2-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 141124171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).