N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide

C6H12N2O2 — CID 142306542

IUPACN-[[(2S)-pyrrolidin-2-yl]methoxy]formamide
SMILESO=CNOC[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O2/c9-5-8-10-4-6-2-1-3-7-6/h5-7H,1-4H2,(H,8,9)/t6-/m0/s1
InChIKeyIJKNWTLAVPJIRL-LURJTMIESA-N
MW144.17 g/mol
LogP-0.58
Rot. Bonds4

About N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide

N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide (PubChem CID 142306542) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide.

Molecular Properties

Compound NameN-[[(2S)-pyrrolidin-2-yl]methoxy]formamide
PubChem CID142306542
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-[[(2S)-pyrrolidin-2-yl]methoxy]formamide
SMILESO=CNOC[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O2/c9-5-8-10-4-6-2-1-3-7-6/h5-7H,1-4H2,(H,8,9)/t6-/m0/s1
InChIKeyIJKNWTLAVPJIRL-LURJTMIESA-N
XLogP-0.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(pyrrolidin-2-ylmethoxy)phenyl]methoxy]formamide
CID 145418762
3-formamido-N-(pyrrolidin-2-ylmethoxy)propanamide
CID 145222768
N-(pyrrolidin-2-ylmethyl)formamide
CID 72555497
N-(cyclopentylmethoxy)formamide
CID 23090322
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 59651686
(2R)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 102820123
(2S)-2-(methylperoxymethyl)pyrrolidine
CID 88881099
pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
[(2S)-pyrrolidin-2-yl]methyl methanesulfonate
CID 124584223
[(2S)-pyrrolidin-2-yl]methyl carbamate;hydrochloride
CID 139649266

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide?
The IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide (CID 142306542) is N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide.
What is the SMILES notation for N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide?
The canonical SMILES for N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide is O=CNOC[C@@H]1CCCN1.
What is the InChIKey of N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide?
The InChIKey is IJKNWTLAVPJIRL-LURJTMIESA-N. The full InChI is InChI=1S/C6H12N2O2/c9-5-8-10-4-6-2-1-3-7-6/h5-7H,1-4H2,(H,8,9)/t6-/m0/s1.
What are the key properties of N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide?
N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide has a molecular weight of 144.17 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-pyrrolidin-2-yl]methoxy]formamide is sourced from PubChem (CID 142306542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).