1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol

C8H16N4O — CID 121201711

IUPAC1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol
SMILESCC(O)C1CCCN1CCN=[N+]=[N-]
InChIInChI=1S/C8H16N4O/c1-7(13)8-3-2-5-12(8)6-4-10-11-9/h7-8,13H,2-6H2,1H3
InChIKeyVMNPSEMLRFHQJC-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.14
Rot. Bonds4

About 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol

1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol (PubChem CID 121201711) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol
PubChem CID121201711
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol
SMILESCC(O)C1CCCN1CCN=[N+]=[N-]
InChIInChI=1S/C8H16N4O/c1-7(13)8-3-2-5-12(8)6-4-10-11-9/h7-8,13H,2-6H2,1H3
InChIKeyVMNPSEMLRFHQJC-UHFFFAOYSA-N
XLogP1.14
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164
(1R)-1-[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414162
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol
CID 112628115
(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 129390025
1-[1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 59300179
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028
1-[1-[2-(3-methylcyclohexyl)ethyl]piperidin-2-yl]ethanol
CID 154850465
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107076
(2S)-2-propan-2-yl-1-propylpyrrolidine
CID 59252927
(1S)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321466

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol (CID 121201711) is 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol is CC(O)C1CCCN1CCN=[N+]=[N-].
What is the InChIKey of 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol?
The InChIKey is VMNPSEMLRFHQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7(13)8-3-2-5-12(8)6-4-10-11-9/h7-8,13H,2-6H2,1H3.
What are the key properties of 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol?
1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol has a molecular weight of 184.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-azidoethyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 121201711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).