(1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol

C7H13NO — CID 167304058

IUPAC(1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol
SMILESC=C1CN[C@H]([C@@H](C)O)C1
InChIInChI=1S/C7H13NO/c1-5-3-7(6(2)9)8-4-5/h6-9H,1,3-4H2,2H3/t6-,7+/m1/s1
InChIKeyJYYWTBHSTLHQTM-RQJHMYQMSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol

(1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol (PubChem CID 167304058) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol
PubChem CID167304058
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol
SMILESC=C1CN[C@H]([C@@H](C)O)C1
InChIInChI=1S/C7H13NO/c1-5-3-7(6(2)9)8-4-5/h6-9H,1,3-4H2,2H3/t6-,7+/m1/s1
InChIKeyJYYWTBHSTLHQTM-RQJHMYQMSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol (CID 167304058) is (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol is C=C1CN[C@H]([C@@H](C)O)C1.
What is the InChIKey of (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol?
The InChIKey is JYYWTBHSTLHQTM-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(6(2)9)8-4-5/h6-9H,1,3-4H2,2H3/t6-,7+/m1/s1.
What are the key properties of (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol?
(1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-4-methylidenepyrrolidin-2-yl]ethanol is sourced from PubChem (CID 167304058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).