formamide;propane

C4H11NO — CID 157485798

IUPACformamide;propane
SMILESCCC.NC=O
InChIInChI=1S/C3H8.CH3NO/c1-3-2;2-1-3/h3H2,1-2H3;1H,(H2,2,3)
InChIKeyBWRVLKGTCGBPNI-UHFFFAOYSA-N
MW89.14 g/mol
LogP0.52
Rot. Bonds

About formamide;propane

formamide;propane (PubChem CID 157485798) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is formamide;propane.

Molecular Properties

Compound Nameformamide;propane
PubChem CID157485798
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Nameformamide;propane
SMILESCCC.NC=O
InChIInChI=1S/C3H8.CH3NO/c1-3-2;2-1-3/h3H2,1-2H3;1H,(H2,2,3)
InChIKeyBWRVLKGTCGBPNI-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;formamide
CID 142305753
diethylalumane;formamide
CID 175514396
azane;formamide
CID 87514751
formamide;palladium
CID 174582931
formamide chloride
CID 19069839
formamide;platinum
CID 174568067
alumane;formamide
CID 173480273
formamide;bis(rhodium(2+))
CID 175697382
formamide;dihydrochloride
CID 22397279
acetaldehyde;ethanamine;ethane;propane
CID 158850439
propanal;propane
CID 91031727
difluoromethane;formamide
CID 174805428

Frequently Asked Questions

What is the IUPAC name of formamide;propane?
The IUPAC name of formamide;propane (CID 157485798) is formamide;propane.
What is the SMILES notation for formamide;propane?
The canonical SMILES for formamide;propane is CCC.NC=O.
What is the InChIKey of formamide;propane?
The InChIKey is BWRVLKGTCGBPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.CH3NO/c1-3-2;2-1-3/h3H2,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;propane?
formamide;propane has a molecular weight of 89.14 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;propane is sourced from PubChem (CID 157485798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).