1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol

C11H22N2O — CID 167214817

IUPAC1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol
SMILESC=C(CCCCCN)N1CCC(O)C1
InChIInChI=1S/C11H22N2O/c1-10(5-3-2-4-7-12)13-8-6-11(14)9-13/h11,14H,1-9,12H2
InChIKeyFFUIGVNDYKTSGR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.09
Rot. Bonds6

About 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol

1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol (PubChem CID 167214817) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol
PubChem CID167214817
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol
SMILESC=C(CCCCCN)N1CCC(O)C1
InChIInChI=1S/C11H22N2O/c1-10(5-3-2-4-7-12)13-8-6-11(14)9-13/h11,14H,1-9,12H2
InChIKeyFFUIGVNDYKTSGR-UHFFFAOYSA-N
XLogP1.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol (CID 167214817) is 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol is C=C(CCCCCN)N1CCC(O)C1.
What is the InChIKey of 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol?
The InChIKey is FFUIGVNDYKTSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(5-3-2-4-7-12)13-8-6-11(14)9-13/h11,14H,1-9,12H2.
What are the key properties of 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol?
1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol has a molecular weight of 198.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 167214817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).