(E)-1-pyrrolidin-1-yldec-4-en-1-one

C14H25NO — CID 5370426

IUPAC(E)-1-pyrrolidin-1-yldec-4-en-1-one
SMILESCCCCC/C=C/CCC(=O)N1CCCC1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-7H,2-5,8-13H2,1H3/b7-6+
InChIKeyBFMWXMVJAFDHKG-VOTSOKGWSA-N
MW223.36 g/mol
LogP3.53
Rot. Bonds7

About (E)-1-pyrrolidin-1-yldec-4-en-1-one

(E)-1-pyrrolidin-1-yldec-4-en-1-one (PubChem CID 5370426) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-1-pyrrolidin-1-yldec-4-en-1-one.

Molecular Properties

Compound Name(E)-1-pyrrolidin-1-yldec-4-en-1-one
PubChem CID5370426
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-1-pyrrolidin-1-yldec-4-en-1-one
SMILESCCCCC/C=C/CCC(=O)N1CCCC1
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-7H,2-5,8-13H2,1H3/b7-6+
InChIKeyBFMWXMVJAFDHKG-VOTSOKGWSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-pyrrolidin-1-yldec-4-en-1-one?
The IUPAC name of (E)-1-pyrrolidin-1-yldec-4-en-1-one (CID 5370426) is (E)-1-pyrrolidin-1-yldec-4-en-1-one.
What is the SMILES notation for (E)-1-pyrrolidin-1-yldec-4-en-1-one?
The canonical SMILES for (E)-1-pyrrolidin-1-yldec-4-en-1-one is CCCCC/C=C/CCC(=O)N1CCCC1.
What is the InChIKey of (E)-1-pyrrolidin-1-yldec-4-en-1-one?
The InChIKey is BFMWXMVJAFDHKG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-7H,2-5,8-13H2,1H3/b7-6+.
What are the key properties of (E)-1-pyrrolidin-1-yldec-4-en-1-one?
(E)-1-pyrrolidin-1-yldec-4-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyrrolidin-1-yldec-4-en-1-one is sourced from PubChem (CID 5370426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).