(2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one

C11H17NO — CID 5368937

IUPAC(2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C11H17NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h2-3,5,8H,4,6-7,9-10H2,1H3/b3-2+,8-5+
InChIKeyCIHPNMRRAQZWDM-YNRRLODASA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds2

About (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one

(2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one (PubChem CID 5368937) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one
PubChem CID5368937
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C11H17NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h2-3,5,8H,4,6-7,9-10H2,1H3/b3-2+,8-5+
InChIKeyCIHPNMRRAQZWDM-YNRRLODASA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one (CID 5368937) is (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one is C/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one?
The InChIKey is CIHPNMRRAQZWDM-YNRRLODASA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-5-8-11(13)12-9-6-4-7-10-12/h2-3,5,8H,4,6-7,9-10H2,1H3/b3-2+,8-5+.
What are the key properties of (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one?
(2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-piperidin-1-ylhexa-2,4-dien-1-one is sourced from PubChem (CID 5368937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).