1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol

C9H18N4O — CID 112628115

IUPAC1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCCN=[N+]=[N-])C1
InChIInChI=1S/C9H18N4O/c1-8(14)9-3-6-13(7-9)5-2-4-11-12-10/h8-9,14H,2-7H2,1H3
InChIKeyGKGIPRYIRRWSRZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.39
Rot. Bonds5

About 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol

1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol (PubChem CID 112628115) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol
PubChem CID112628115
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CCCN=[N+]=[N-])C1
InChIInChI=1S/C9H18N4O/c1-8(14)9-3-6-13(7-9)5-2-4-11-12-10/h8-9,14H,2-7H2,1H3
InChIKeyGKGIPRYIRRWSRZ-UHFFFAOYSA-N
XLogP1.39
TPSA72.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

1-[1-(5-aminopentyl)pyrrolidin-3-yl]ethanol
CID 112624715
1-(2-azidoethyl)-3-(difluoromethyl)pyrrolidine
CID 121201139
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
ethyl 1-(3-azidopropyl)piperidine-4-carboxylate
CID 61396666
1-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 110020455
ethyl 1-(3-azidopropyl)piperidine-3-carboxylate
CID 61396117
1-(3-azidopropyl)-3,5-dimethylpiperidine
CID 61396749
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
2-[4-(3-azidopropyl)piperazin-1-yl]ethanol
CID 55139368
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanimidamide
CID 112625824
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol (CID 112628115) is 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CCCN=[N+]=[N-])C1.
What is the InChIKey of 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol?
The InChIKey is GKGIPRYIRRWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-8(14)9-3-6-13(7-9)5-2-4-11-12-10/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol?
1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol has a molecular weight of 198.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-azidopropyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).