N-(2-hydroxypropyl)-N-methylformamide

C5H11NO2 — CID 3569560

IUPACN-(2-hydroxypropyl)-N-methylformamide
SMILESCC(O)CN(C)C=O
InChIInChI=1S/C5H11NO2/c1-5(8)3-6(2)4-7/h4-5,8H,3H2,1-2H3
InChIKeyBMYBBGMVRHGUJW-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.54
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methylformamide

N-(2-hydroxypropyl)-N-methylformamide (PubChem CID 3569560) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methylformamide
PubChem CID3569560
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(2-hydroxypropyl)-N-methylformamide
SMILESCC(O)CN(C)C=O
InChIInChI=1S/C5H11NO2/c1-5(8)3-6(2)4-7/h4-5,8H,3H2,1-2H3
InChIKeyBMYBBGMVRHGUJW-UHFFFAOYSA-N
XLogP-0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
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-(2-hydroxypropyl)-N-methylformamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methylformamide (CID 3569560) is N-(2-hydroxypropyl)-N-methylformamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methylformamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methylformamide is CC(O)CN(C)C=O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methylformamide?
The InChIKey is BMYBBGMVRHGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(8)3-6(2)4-7/h4-5,8H,3H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methylformamide?
N-(2-hydroxypropyl)-N-methylformamide has a molecular weight of 117.15 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methylformamide is sourced from PubChem (CID 3569560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).