N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide

C7H12N2O2 — CID 142314349

IUPACN-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide
SMILESCN1CC=C[C@@H](N(O)C=O)C1
InChIInChI=1S/C7H12N2O2/c1-8-4-2-3-7(5-8)9(11)6-10/h2-3,6-7,11H,4-5H2,1H3/t7-/m1/s1
InChIKeySJUULUROLLWIFZ-SSDOTTSWSA-N
MW156.18 g/mol
LogP-0.30
Rot. Bonds2

About N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide

N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide (PubChem CID 142314349) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide
PubChem CID142314349
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC NameN-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide
SMILESCN1CC=C[C@@H](N(O)C=O)C1
InChIInChI=1S/C7H12N2O2/c1-8-4-2-3-7(5-8)9(11)6-10/h2-3,6-7,11H,4-5H2,1H3/t7-/m1/s1
InChIKeySJUULUROLLWIFZ-SSDOTTSWSA-N
XLogP-0.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide?
The IUPAC name of N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide (CID 142314349) is N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide?
The canonical SMILES for N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide is CN1CC=C[C@@H](N(O)C=O)C1.
What is the InChIKey of N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide?
The InChIKey is SJUULUROLLWIFZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-4-2-3-7(5-8)9(11)6-10/h2-3,6-7,11H,4-5H2,1H3/t7-/m1/s1.
What are the key properties of N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide?
N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide has a molecular weight of 156.18 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide is sourced from PubChem (CID 142314349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).