N-formyl-N-(3-hydroxypropyl)formamide

C5H9NO3 — CID 46916279

IUPACN-formyl-N-(3-hydroxypropyl)formamide
SMILESO=CN(C=O)CCCO
InChIInChI=1S/C5H9NO3/c7-3-1-2-6(4-8)5-9/h4-5,7H,1-3H2
InChIKeyXLGVTXLVXHYFBD-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.02
Rot. Bonds5

About N-formyl-N-(3-hydroxypropyl)formamide

N-formyl-N-(3-hydroxypropyl)formamide (PubChem CID 46916279) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-formyl-N-(3-hydroxypropyl)formamide.

Molecular Properties

Compound NameN-formyl-N-(3-hydroxypropyl)formamide
PubChem CID46916279
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-formyl-N-(3-hydroxypropyl)formamide
SMILESO=CN(C=O)CCCO
InChIInChI=1S/C5H9NO3/c7-3-1-2-6(4-8)5-9/h4-5,7H,1-3H2
InChIKeyXLGVTXLVXHYFBD-UHFFFAOYSA-N
XLogP-1.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N-methylformamide
CID 54516038
N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 87321686
N-(difluoromethyl)-N-(3-hydroxypropyl)formamide
CID 87322077
3-Hydroxypropyl(methyl)carbamic acid
CID 17930458
N-ethyl-N-(3-hydroxypropyl)formamide
CID 19845153
N-acetyl-N-(3-hydroxypropyl)acetamide
CID 21721070
N,N-bis(3-hydroxypropyl)formamide
CID 21847832
2-Hydroxyazetidine-1-carbaldehyde
CID 54110328
CID 58870327
CID 58870327
N-(3-hydroxypropyl)-N-propan-2-ylformamide
CID 62136937
N-(3-hydroxypropyl)-N-propylformamide
CID 87322220
Carboxy(3-hydroxypropyl)carbamic acid
CID 87569437

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(3-hydroxypropyl)formamide?
The IUPAC name of N-formyl-N-(3-hydroxypropyl)formamide (CID 46916279) is N-formyl-N-(3-hydroxypropyl)formamide.
What is the SMILES notation for N-formyl-N-(3-hydroxypropyl)formamide?
The canonical SMILES for N-formyl-N-(3-hydroxypropyl)formamide is O=CN(C=O)CCCO.
What is the InChIKey of N-formyl-N-(3-hydroxypropyl)formamide?
The InChIKey is XLGVTXLVXHYFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-2-6(4-8)5-9/h4-5,7H,1-3H2.
What are the key properties of N-formyl-N-(3-hydroxypropyl)formamide?
N-formyl-N-(3-hydroxypropyl)formamide has a molecular weight of 131.13 g/mol, XLogP of -1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(3-hydroxypropyl)formamide is sourced from PubChem (CID 46916279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).