N-(pyrrolidin-1-ylmethyl)formamide

C6H12N2O — CID 15437749

IUPACN-(pyrrolidin-1-ylmethyl)formamide
SMILESO=CNCN1CCCC1
InChIInChI=1S/C6H12N2O/c9-6-7-5-8-3-1-2-4-8/h6H,1-5H2,(H,7,9)
InChIKeyOJCLTFXGQBLTGA-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.21
Rot. Bonds3

About N-(pyrrolidin-1-ylmethyl)formamide

N-(pyrrolidin-1-ylmethyl)formamide (PubChem CID 15437749) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-(pyrrolidin-1-ylmethyl)formamide.

Molecular Properties

Compound NameN-(pyrrolidin-1-ylmethyl)formamide
PubChem CID15437749
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-(pyrrolidin-1-ylmethyl)formamide
SMILESO=CNCN1CCCC1
InChIInChI=1S/C6H12N2O/c9-6-7-5-8-3-1-2-4-8/h6H,1-5H2,(H,7,9)
InChIKeyOJCLTFXGQBLTGA-UHFFFAOYSA-N
XLogP-0.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.21
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-(pyrrolidin-1-ylmethyl)formamide?
The IUPAC name of N-(pyrrolidin-1-ylmethyl)formamide (CID 15437749) is N-(pyrrolidin-1-ylmethyl)formamide.
What is the SMILES notation for N-(pyrrolidin-1-ylmethyl)formamide?
The canonical SMILES for N-(pyrrolidin-1-ylmethyl)formamide is O=CNCN1CCCC1.
What is the InChIKey of N-(pyrrolidin-1-ylmethyl)formamide?
The InChIKey is OJCLTFXGQBLTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-6-7-5-8-3-1-2-4-8/h6H,1-5H2,(H,7,9).
What are the key properties of N-(pyrrolidin-1-ylmethyl)formamide?
N-(pyrrolidin-1-ylmethyl)formamide has a molecular weight of 128.18 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-1-ylmethyl)formamide is sourced from PubChem (CID 15437749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).