N-(3-hydroxypropyl)-N-methylformamide

C5H11NO2 — CID 54516038

IUPACN-(3-hydroxypropyl)-N-methylformamide
SMILESCN(C=O)CCCO
InChIInChI=1S/C5H11NO2/c1-6(5-8)3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyYMMGSYADVRAIOA-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.54
Rot. Bonds4

About N-(3-hydroxypropyl)-N-methylformamide

N-(3-hydroxypropyl)-N-methylformamide (PubChem CID 54516038) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methylformamide
PubChem CID54516038
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(3-hydroxypropyl)-N-methylformamide
SMILESCN(C=O)CCCO
InChIInChI=1S/C5H11NO2/c1-6(5-8)3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyYMMGSYADVRAIOA-UHFFFAOYSA-N
XLogP-0.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-hydroxypropyl)-N-methylformamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methylformamide (CID 54516038) is N-(3-hydroxypropyl)-N-methylformamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methylformamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methylformamide is CN(C=O)CCCO.
What is the InChIKey of N-(3-hydroxypropyl)-N-methylformamide?
The InChIKey is YMMGSYADVRAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6(5-8)3-2-4-7/h5,7H,2-4H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-N-methylformamide?
N-(3-hydroxypropyl)-N-methylformamide has a molecular weight of 117.15 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methylformamide is sourced from PubChem (CID 54516038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).