1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol

C7H14N2O — CID 58474968

IUPAC1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1C[C@H](NC)CN1
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8-2)4-9-7/h6-10H,1,3-4H2,2H3/t6-,7-/m0/s1
InChIKeyKFYQNHRDETXWEC-BQBZGAKWSA-N
MW142.20 g/mol
LogP0.01
Rot. Bonds2

About 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol

1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol (PubChem CID 58474968) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol.

Molecular Properties

Compound Name1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol
PubChem CID58474968
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol
SMILESC=C(O)[C@@H]1C[C@H](NC)CN1
InChIInChI=1S/C7H14N2O/c1-5(10)7-3-6(8-2)4-9-7/h6-10H,1,3-4H2,2H3/t6-,7-/m0/s1
InChIKeyKFYQNHRDETXWEC-BQBZGAKWSA-N
XLogP0.01
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol?
The IUPAC name of 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol (CID 58474968) is 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol.
What is the SMILES notation for 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol?
The canonical SMILES for 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol is C=C(O)[C@@H]1C[C@H](NC)CN1.
What is the InChIKey of 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol?
The InChIKey is KFYQNHRDETXWEC-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(10)7-3-6(8-2)4-9-7/h6-10H,1,3-4H2,2H3/t6-,7-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol?
1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol has a molecular weight of 142.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-(methylamino)pyrrolidin-2-yl]ethenol is sourced from PubChem (CID 58474968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).