N-formyl-N-propan-2-ylformamide

C5H9NO2 — CID 21354474

IUPACN-formyl-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C=O
InChIInChI=1S/C5H9NO2/c1-5(2)6(3-7)4-8/h3-5H,1-2H3
InChIKeyZZHARUYKVDDZTI-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.01
Rot. Bonds3

About N-formyl-N-propan-2-ylformamide

N-formyl-N-propan-2-ylformamide (PubChem CID 21354474) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-formyl-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-formyl-N-propan-2-ylformamide
PubChem CID21354474
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-formyl-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C=O
InChIInChI=1S/C5H9NO2/c1-5(2)6(3-7)4-8/h3-5H,1-2H3
InChIKeyZZHARUYKVDDZTI-UHFFFAOYSA-N
XLogP0.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-propan-2-ylformamide?
The IUPAC name of N-formyl-N-propan-2-ylformamide (CID 21354474) is N-formyl-N-propan-2-ylformamide.
What is the SMILES notation for N-formyl-N-propan-2-ylformamide?
The canonical SMILES for N-formyl-N-propan-2-ylformamide is CC(C)N(C=O)C=O.
What is the InChIKey of N-formyl-N-propan-2-ylformamide?
The InChIKey is ZZHARUYKVDDZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-5(2)6(3-7)4-8/h3-5H,1-2H3.
What are the key properties of N-formyl-N-propan-2-ylformamide?
N-formyl-N-propan-2-ylformamide has a molecular weight of 115.13 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-propan-2-ylformamide is sourced from PubChem (CID 21354474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).