N-(2-hydroxypentan-3-yl)formamide

C6H13NO2 — CID 18345258

IUPACN-(2-hydroxypentan-3-yl)formamide
SMILESCCC(NC=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-3-6(5(2)9)7-4-8/h4-6,9H,3H2,1-2H3,(H,7,8)
InChIKeyNZALMEDXAWVUSG-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.11
Rot. Bonds4

About N-(2-hydroxypentan-3-yl)formamide

N-(2-hydroxypentan-3-yl)formamide (PubChem CID 18345258) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(2-hydroxypentan-3-yl)formamide.

Molecular Properties

Compound NameN-(2-hydroxypentan-3-yl)formamide
PubChem CID18345258
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(2-hydroxypentan-3-yl)formamide
SMILESCCC(NC=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-3-6(5(2)9)7-4-8/h4-6,9H,3H2,1-2H3,(H,7,8)
InChIKeyNZALMEDXAWVUSG-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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-hydroxypentan-3-yl)formamide?
The IUPAC name of N-(2-hydroxypentan-3-yl)formamide (CID 18345258) is N-(2-hydroxypentan-3-yl)formamide.
What is the SMILES notation for N-(2-hydroxypentan-3-yl)formamide?
The canonical SMILES for N-(2-hydroxypentan-3-yl)formamide is CCC(NC=O)C(C)O.
What is the InChIKey of N-(2-hydroxypentan-3-yl)formamide?
The InChIKey is NZALMEDXAWVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-6(5(2)9)7-4-8/h4-6,9H,3H2,1-2H3,(H,7,8).
What are the key properties of N-(2-hydroxypentan-3-yl)formamide?
N-(2-hydroxypentan-3-yl)formamide has a molecular weight of 131.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentan-3-yl)formamide is sourced from PubChem (CID 18345258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).