N-(3-cyanooxolan-3-yl)formamide

C6H8N2O2 — CID 164551035

IUPACN-(3-cyanooxolan-3-yl)formamide
SMILESN#CC1(NC=O)CCOC1
InChIInChI=1S/C6H8N2O2/c7-3-6(8-5-9)1-2-10-4-6/h5H,1-2,4H2,(H,8,9)
InChIKeyZXMHKXPQHSDUDI-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.58
Rot. Bonds2

About N-(3-cyanooxolan-3-yl)formamide

N-(3-cyanooxolan-3-yl)formamide (PubChem CID 164551035) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is N-(3-cyanooxolan-3-yl)formamide.

Molecular Properties

Compound NameN-(3-cyanooxolan-3-yl)formamide
PubChem CID164551035
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC NameN-(3-cyanooxolan-3-yl)formamide
SMILESN#CC1(NC=O)CCOC1
InChIInChI=1S/C6H8N2O2/c7-3-6(8-5-9)1-2-10-4-6/h5H,1-2,4H2,(H,8,9)
InChIKeyZXMHKXPQHSDUDI-UHFFFAOYSA-N
XLogP-0.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide
CID 130616504
3-(2-methoxyethylamino)oxolane-3-carbonitrile
CID 63335677
3-(2-azidoethylamino)oxolane-3-carbonitrile
CID 66189196
4-cyano-4-(dimethylsulfamoylamino)oxane
CID 82290117
3-aminooxolane-3-carbonitrile;hydrochloride
CID 54595595
N-(4-cyanooxan-4-yl)-2-ethylbutanamide
CID 82287407
3-isocyanatooxolane-3-carbonitrile
CID 82885221
4-(4-fluoroanilino)oxane-4-carbonitrile
CID 60986746
4-methylsulfonyloxane-4-carbonitrile
CID 62474179
(3R)-3-propan-2-yloxolane-3-carbonitrile
CID 164551100
(3-cyanooxolan-3-yl)-methanidylazanium
CID 155624877
4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
CID 79130852

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanooxolan-3-yl)formamide?
The IUPAC name of N-(3-cyanooxolan-3-yl)formamide (CID 164551035) is N-(3-cyanooxolan-3-yl)formamide.
What is the SMILES notation for N-(3-cyanooxolan-3-yl)formamide?
The canonical SMILES for N-(3-cyanooxolan-3-yl)formamide is N#CC1(NC=O)CCOC1.
What is the InChIKey of N-(3-cyanooxolan-3-yl)formamide?
The InChIKey is ZXMHKXPQHSDUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-6(8-5-9)1-2-10-4-6/h5H,1-2,4H2,(H,8,9).
What are the key properties of N-(3-cyanooxolan-3-yl)formamide?
N-(3-cyanooxolan-3-yl)formamide has a molecular weight of 140.14 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanooxolan-3-yl)formamide is sourced from PubChem (CID 164551035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).