N-(3-cyanopropyl)oxolane-3-carboxamide

C9H14N2O2 — CID 62668302

IUPACN-(3-cyanopropyl)oxolane-3-carboxamide
SMILESN#CCCCNC(=O)C1CCOC1
InChIInChI=1S/C9H14N2O2/c10-4-1-2-5-11-9(12)8-3-6-13-7-8/h8H,1-3,5-7H2,(H,11,12)
InChIKeyBQFXJYRNZNQFDL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.44
Rot. Bonds4

About N-(3-cyanopropyl)oxolane-3-carboxamide

N-(3-cyanopropyl)oxolane-3-carboxamide (PubChem CID 62668302) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(3-cyanopropyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)oxolane-3-carboxamide
PubChem CID62668302
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(3-cyanopropyl)oxolane-3-carboxamide
SMILESN#CCCCNC(=O)C1CCOC1
InChIInChI=1S/C9H14N2O2/c10-4-1-2-5-11-9(12)8-3-6-13-7-8/h8H,1-3,5-7H2,(H,11,12)
InChIKeyBQFXJYRNZNQFDL-UHFFFAOYSA-N
XLogP0.44
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
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-cyanopropyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-cyanopropyl)oxolane-3-carboxamide (CID 62668302) is N-(3-cyanopropyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)oxolane-3-carboxamide is N#CCCCNC(=O)C1CCOC1.
What is the InChIKey of N-(3-cyanopropyl)oxolane-3-carboxamide?
The InChIKey is BQFXJYRNZNQFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-4-1-2-5-11-9(12)8-3-6-13-7-8/h8H,1-3,5-7H2,(H,11,12).
What are the key properties of N-(3-cyanopropyl)oxolane-3-carboxamide?
N-(3-cyanopropyl)oxolane-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)oxolane-3-carboxamide is sourced from PubChem (CID 62668302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).