N-(2-methylpropylidene)formamide

C5H9NO — CID 57091064

IUPACN-(2-methylpropylidene)formamide
SMILESCC(C)/C=N/C=O
InChIInChI=1S/C5H9NO/c1-5(2)3-6-4-7/h3-5H,1-2H3/b6-3+
InChIKeyXHQAQESGKMDSLF-ZZXKWVIFSA-N
MW99.13 g/mol
LogP0.87
Rot. Bonds2

About N-(2-methylpropylidene)formamide

N-(2-methylpropylidene)formamide (PubChem CID 57091064) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-(2-methylpropylidene)formamide.

Molecular Properties

Compound NameN-(2-methylpropylidene)formamide
PubChem CID57091064
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-(2-methylpropylidene)formamide
SMILESCC(C)/C=N/C=O
InChIInChI=1S/C5H9NO/c1-5(2)3-6-4-7/h3-5H,1-2H3/b6-3+
InChIKeyXHQAQESGKMDSLF-ZZXKWVIFSA-N
XLogP0.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropylidene)formamide?
The IUPAC name of N-(2-methylpropylidene)formamide (CID 57091064) is N-(2-methylpropylidene)formamide.
What is the SMILES notation for N-(2-methylpropylidene)formamide?
The canonical SMILES for N-(2-methylpropylidene)formamide is CC(C)/C=N/C=O.
What is the InChIKey of N-(2-methylpropylidene)formamide?
The InChIKey is XHQAQESGKMDSLF-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(2)3-6-4-7/h3-5H,1-2H3/b6-3+.
What are the key properties of N-(2-methylpropylidene)formamide?
N-(2-methylpropylidene)formamide has a molecular weight of 99.13 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylidene)formamide is sourced from PubChem (CID 57091064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).