1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol

C14H27NO — CID 123711237

IUPAC1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol
SMILESCC(=CCCN1CCC(O)C1)C(C)C(C)C
InChIInChI=1S/C14H27NO/c1-11(2)13(4)12(3)6-5-8-15-9-7-14(16)10-15/h6,11,13-14,16H,5,7-10H2,1-4H3
InChIKeyMFTQDSNOBFYOTH-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.68
Rot. Bonds5

About 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol

1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol (PubChem CID 123711237) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol
PubChem CID123711237
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol
SMILESCC(=CCCN1CCC(O)C1)C(C)C(C)C
InChIInChI=1S/C14H27NO/c1-11(2)13(4)12(3)6-5-8-15-9-7-14(16)10-15/h6,11,13-14,16H,5,7-10H2,1-4H3
InChIKeyMFTQDSNOBFYOTH-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol (CID 123711237) is 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol is CC(=CCCN1CCC(O)C1)C(C)C(C)C.
What is the InChIKey of 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol?
The InChIKey is MFTQDSNOBFYOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)13(4)12(3)6-5-8-15-9-7-14(16)10-15/h6,11,13-14,16H,5,7-10H2,1-4H3.
What are the key properties of 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol?
1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6-trimethylhept-3-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 123711237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).