2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol

C16H29NO — CID 107011017

IUPAC2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESC=CCCCCCN1CCCC1C1CCCC1O
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-12-17-13-8-10-15(17)14-9-7-11-16(14)18/h2,14-16,18H,1,3-13H2
InChIKeyRFJFSDWBPOXJRQ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds7

About 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol

2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol (PubChem CID 107011017) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
PubChem CID107011017
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol
SMILESC=CCCCCCN1CCCC1C1CCCC1O
InChIInChI=1S/C16H29NO/c1-2-3-4-5-6-12-17-13-8-10-15(17)14-9-7-11-16(14)18/h2,14-16,18H,1,3-13H2
InChIKeyRFJFSDWBPOXJRQ-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3S)-2-(3-methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
CID 57076025
2-(3-Methoxyprop-2-enyl)-3-pyrrolidin-1-ylcyclopentan-1-ol
CID 70469575
1-(1-Pyrrolidin-1-ylcyclopentyl)hex-5-en-1-ol
CID 79058445
1-(1-Pyrrolidin-1-ylcyclopentyl)but-3-en-1-ol
CID 79060151
1-(1-Pyrrolidin-1-ylcyclopentyl)pent-4-en-1-ol
CID 79060162
1-[1-(3-Methylhex-5-en-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 104175789
2-[[Methyl(3-methylhex-5-en-2-yl)amino]methyl]cyclopentan-1-ol
CID 104175939
1-(1-Pyrrolidin-1-ylcyclopentyl)oct-7-en-1-ol
CID 107008624
2-(1-Hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
CID 107011018
2-(1-Hept-6-enylpiperidin-2-yl)cyclopentan-1-ol
CID 107011020
2-(1-Pent-4-enylpiperidin-2-yl)cyclopentan-1-ol
CID 113569338
2-(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)cyclopentan-1-ol
CID 113609126

Frequently Asked Questions

What is the IUPAC name of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol?
The IUPAC name of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol (CID 107011017) is 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol is C=CCCCCCN1CCCC1C1CCCC1O.
What is the InChIKey of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol?
The InChIKey is RFJFSDWBPOXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-3-4-5-6-12-17-13-8-10-15(17)14-9-7-11-16(14)18/h2,14-16,18H,1,3-13H2.
What are the key properties of 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol?
2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hept-6-enylpyrrolidin-2-yl)cyclopentan-1-ol is sourced from PubChem (CID 107011017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).