N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine

C5H12N2O — CID 91407987

IUPACN-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
SMILESONC[C@@H]1CCCN1
InChIInChI=1S/C5H12N2O/c8-7-4-5-2-1-3-6-5/h5-8H,1-4H2/t5-/m0/s1
InChIKeyURESRIIRDSOGJY-YFKPBYRVSA-N
MW116.16 g/mol
LogP-0.28
Rot. Bonds2

About N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine

N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine (PubChem CID 91407987) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
PubChem CID91407987
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
SMILESONC[C@@H]1CCCN1
InChIInChI=1S/C5H12N2O/c8-7-4-5-2-1-3-6-5/h5-8H,1-4H2/t5-/m0/s1
InChIKeyURESRIIRDSOGJY-YFKPBYRVSA-N
XLogP-0.28
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyrrolidin-2-ylmethanamine;molecular hydrogen
CID 153348528
3-(pyrrolidin-2-ylmethylamino)cyclobutan-1-ol
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2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
1,1-dimethyl-2-(pyrrolidin-2-ylmethyl)hydrazine
CID 106639129
N-(pyrrolidin-2-ylmethyl)formamide
CID 72555497
2-[(pyrrolidin-2-ylmethylamino)methyl]phenol
CID 103846509
(E)-1-chloro-N-(pyrrolidin-2-ylmethyl)prop-1-en-1-amine
CID 144839728
[(2S)-pyrrolidin-2-yl]methanol;zinc
CID 175136372
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
1-cyclobutyl-N-(piperidin-2-ylmethyl)methanamine
CID 106633110
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
3-[(pyrrolidin-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120820

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine?
The IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine (CID 91407987) is N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine.
What is the SMILES notation for N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine?
The canonical SMILES for N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine is ONC[C@@H]1CCCN1.
What is the InChIKey of N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine?
The InChIKey is URESRIIRDSOGJY-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O/c8-7-4-5-2-1-3-6-5/h5-8H,1-4H2/t5-/m0/s1.
What are the key properties of N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine?
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine has a molecular weight of 116.16 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine is sourced from PubChem (CID 91407987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).