N-(4-methoxypyrrolidin-3-yl)formamide

C6H12N2O2 — CID 19969812

IUPACN-(4-methoxypyrrolidin-3-yl)formamide
SMILESCOC1CNCC1NC=O
InChIInChI=1S/C6H12N2O2/c1-10-6-3-7-2-5(6)8-4-9/h4-7H,2-3H2,1H3,(H,8,9)
InChIKeyBJLUAEOVZLLHBH-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.28
Rot. Bonds3

About N-(4-methoxypyrrolidin-3-yl)formamide

N-(4-methoxypyrrolidin-3-yl)formamide (PubChem CID 19969812) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(4-methoxypyrrolidin-3-yl)formamide.

Molecular Properties

Compound NameN-(4-methoxypyrrolidin-3-yl)formamide
PubChem CID19969812
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(4-methoxypyrrolidin-3-yl)formamide
SMILESCOC1CNCC1NC=O
InChIInChI=1S/C6H12N2O2/c1-10-6-3-7-2-5(6)8-4-9/h4-7H,2-3H2,1H3,(H,8,9)
InChIKeyBJLUAEOVZLLHBH-UHFFFAOYSA-N
XLogP-1.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methoxypyrrolidin-3-yl)formamide?
The IUPAC name of N-(4-methoxypyrrolidin-3-yl)formamide (CID 19969812) is N-(4-methoxypyrrolidin-3-yl)formamide.
What is the SMILES notation for N-(4-methoxypyrrolidin-3-yl)formamide?
The canonical SMILES for N-(4-methoxypyrrolidin-3-yl)formamide is COC1CNCC1NC=O.
What is the InChIKey of N-(4-methoxypyrrolidin-3-yl)formamide?
The InChIKey is BJLUAEOVZLLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-10-6-3-7-2-5(6)8-4-9/h4-7H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(4-methoxypyrrolidin-3-yl)formamide?
N-(4-methoxypyrrolidin-3-yl)formamide has a molecular weight of 144.17 g/mol, XLogP of -1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxypyrrolidin-3-yl)formamide is sourced from PubChem (CID 19969812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).