N-(3-cyanopropyl)oxane-2-carboxamide

C10H16N2O2 — CID 62667376

IUPACN-(3-cyanopropyl)oxane-2-carboxamide
SMILESN#CCCCNC(=O)C1CCCCO1
InChIInChI=1S/C10H16N2O2/c11-6-2-3-7-12-10(13)9-5-1-4-8-14-9/h9H,1-5,7-8H2,(H,12,13)
InChIKeyLREWWPVVEQXINW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.98
Rot. Bonds4

About N-(3-cyanopropyl)oxane-2-carboxamide

N-(3-cyanopropyl)oxane-2-carboxamide (PubChem CID 62667376) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-cyanopropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)oxane-2-carboxamide
PubChem CID62667376
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-(3-cyanopropyl)oxane-2-carboxamide
SMILESN#CCCCNC(=O)C1CCCCO1
InChIInChI=1S/C10H16N2O2/c11-6-2-3-7-12-10(13)9-5-1-4-8-14-9/h9H,1-5,7-8H2,(H,12,13)
InChIKeyLREWWPVVEQXINW-UHFFFAOYSA-N
XLogP0.98
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.98
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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Related Compounds

N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(3-cyanopropyl)cyclohexanecarboxamide
CID 62666827
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
CID 65123536
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)oxane-2-carboxamide?
The IUPAC name of N-(3-cyanopropyl)oxane-2-carboxamide (CID 62667376) is N-(3-cyanopropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3-cyanopropyl)oxane-2-carboxamide?
The canonical SMILES for N-(3-cyanopropyl)oxane-2-carboxamide is N#CCCCNC(=O)C1CCCCO1.
What is the InChIKey of N-(3-cyanopropyl)oxane-2-carboxamide?
The InChIKey is LREWWPVVEQXINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-6-2-3-7-12-10(13)9-5-1-4-8-14-9/h9H,1-5,7-8H2,(H,12,13).
What are the key properties of N-(3-cyanopropyl)oxane-2-carboxamide?
N-(3-cyanopropyl)oxane-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)oxane-2-carboxamide is sourced from PubChem (CID 62667376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).