7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol

C17H27NO — CID 76525940

IUPAC7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol
SMILESCCCCC#CC(O)(C#CCCCC)C1CCCN1
InChIInChI=1S/C17H27NO/c1-3-5-7-9-13-17(19,14-10-8-6-4-2)16-12-11-15-18-16/h16,18-19H,3-8,11-12,15H2,1-2H3
InChIKeyCAVUREUXTCQHPD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.86
Rot. Bonds5

About 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol

7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol (PubChem CID 76525940) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol.

Molecular Properties

Compound Name7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol
PubChem CID76525940
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol
SMILESCCCCC#CC(O)(C#CCCCC)C1CCCN1
InChIInChI=1S/C17H27NO/c1-3-5-7-9-13-17(19,14-10-8-6-4-2)16-12-11-15-18-16/h16,18-19H,3-8,11-12,15H2,1-2H3
InChIKeyCAVUREUXTCQHPD-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 112512823
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
CID 130920740
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
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(1S)-1-bromo-1-cyclohexylpentadec-2-yn-1-ol
CID 91036149
(2S)-2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol;sulfane
CID 167598159
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
trimethyl-[10-[(2S)-pyrrolidin-2-yl]nonadecan-10-yloxy]silane
CID 101449270

Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol?
The IUPAC name of 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol (CID 76525940) is 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol.
What is the SMILES notation for 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol?
The canonical SMILES for 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol is CCCCC#CC(O)(C#CCCCC)C1CCCN1.
What is the InChIKey of 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol?
The InChIKey is CAVUREUXTCQHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-7-9-13-17(19,14-10-8-6-4-2)16-12-11-15-18-16/h16,18-19H,3-8,11-12,15H2,1-2H3.
What are the key properties of 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol?
7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol has a molecular weight of 261.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-2-yltrideca-5,8-diyn-7-ol is sourced from PubChem (CID 76525940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).