N-(propan-2-ylideneamino)formamide

C4H8N2O — CID 3838852

IUPACN-(propan-2-ylideneamino)formamide
SMILESCC(C)=NNC=O
InChIInChI=1S/C4H8N2O/c1-4(2)6-5-3-7/h3H,1-2H3,(H,5,7)
InChIKeyRCBMYNQWQOBWOB-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.13
Rot. Bonds2

About N-(propan-2-ylideneamino)formamide

N-(propan-2-ylideneamino)formamide (PubChem CID 3838852) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)formamide.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)formamide
PubChem CID3838852
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC NameN-(propan-2-ylideneamino)formamide
SMILESCC(C)=NNC=O
InChIInChI=1S/C4H8N2O/c1-4(2)6-5-3-7/h3H,1-2H3,(H,5,7)
InChIKeyRCBMYNQWQOBWOB-UHFFFAOYSA-N
XLogP0.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(propan-2-ylideneamino)methanimidamide
CID 129046835
CID 177396186
CID 177396186
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]formamide
CID 135450929
N-[(Z)-[2-chloro-1-[methyl(propan-2-yl)amino]ethylidene]amino]formamide
CID 126677299
N-[(Z)-[(E)-1-cyclopropyl-3-methylpent-2-enylidene]amino]formamide
CID 168935775
N-[(Z)-1-(2,4-dimethylphenyl)ethylideneamino]formamide
CID 166829852
dimethyl (2E)-2-(formylhydrazinylidene)pentanedioate
CID 43835351
dimethyl (2Z)-2-(formylhydrazinylidene)pentanedioate
CID 27001712
methyl 2-(formylhydrazinylidene)acetate
CID 54359132
2-[(methylideneamino)hydrazinylidene]propane
CID 145419636
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
(3E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(formylhydrazinylidene)butanamide
CID 16740219

Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)formamide?
The IUPAC name of N-(propan-2-ylideneamino)formamide (CID 3838852) is N-(propan-2-ylideneamino)formamide.
What is the SMILES notation for N-(propan-2-ylideneamino)formamide?
The canonical SMILES for N-(propan-2-ylideneamino)formamide is CC(C)=NNC=O.
What is the InChIKey of N-(propan-2-ylideneamino)formamide?
The InChIKey is RCBMYNQWQOBWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4(2)6-5-3-7/h3H,1-2H3,(H,5,7).
What are the key properties of N-(propan-2-ylideneamino)formamide?
N-(propan-2-ylideneamino)formamide has a molecular weight of 100.12 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)formamide is sourced from PubChem (CID 3838852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).