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

C9H18N2O2 — CID 10535559

IUPACN-[3-(methylamino)propyl]oxolane-2-carboxamide
SMILESCNCCCNC(=O)C1CCCO1
InChIInChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyAUXJTEANWWFSRR-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.11
Rot. Bonds5

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

N-[3-(methylamino)propyl]oxolane-2-carboxamide (PubChem CID 10535559) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]oxolane-2-carboxamide
PubChem CID10535559
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[3-(methylamino)propyl]oxolane-2-carboxamide
SMILESCNCCCNC(=O)C1CCCO1
InChIInChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyAUXJTEANWWFSRR-UHFFFAOYSA-N
XLogP-0.11
TPSA50.36 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 ≤ 5-0.11
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 N-[3-(methylamino)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]oxolane-2-carboxamide (CID 10535559) is N-[3-(methylamino)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]oxolane-2-carboxamide is CNCCCNC(=O)C1CCCO1.
What is the InChIKey of N-[3-(methylamino)propyl]oxolane-2-carboxamide?
The InChIKey is AUXJTEANWWFSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-[3-(methylamino)propyl]oxolane-2-carboxamide?
N-[3-(methylamino)propyl]oxolane-2-carboxamide has a molecular weight of 186.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 10535559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).