1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine

C11H16N2O — CID 123619556

IUPAC1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine
SMILESC=CC=C(C=C)N1CCC(N=O)CC1
InChIInChI=1S/C11H16N2O/c1-3-5-11(4-2)13-8-6-10(12-14)7-9-13/h3-5,10H,1-2,6-9H2
InChIKeyXDWVZAJPQWISDQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.47
Rot. Bonds4

About 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine

1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine (PubChem CID 123619556) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine.

Molecular Properties

Compound Name1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine
PubChem CID123619556
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine
SMILESC=CC=C(C=C)N1CCC(N=O)CC1
InChIInChI=1S/C11H16N2O/c1-3-5-11(4-2)13-8-6-10(12-14)7-9-13/h3-5,10H,1-2,6-9H2
InChIKeyXDWVZAJPQWISDQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-cyclopropyl-2-[4-[(3E)-hexa-1,3,5-trien-3-yl]piperazin-1-yl]-3-oxopropanoate
CID 142527789
1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
CID 123835356
1-[(2E)-2-ethenylpenta-2,4-dienoyl]pyrrolidine-3-carboxylic acid
CID 144839908
4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine
CID 166981367
1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane
CID 142109087
tert-butyl 4-[(1Z)-1-(methylideneamino)buta-1,3-dienyl]piperidine-1-carboxylate
CID 144773835
6-amino-1-(3-nitrosopyrrolidin-1-yl)hexan-1-one
CID 178062004
[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
CID 156514453
ethane;1-[(3E)-hexa-1,3,5-trien-3-yl]sulfonyl-3-methylpiperidine
CID 143725209
4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
CID 138711415
1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one
CID 174757268
[(2E)-2-ethenylpenta-2,4-dienyl] 3-hydroxypyrrolidine-1-carboxylate
CID 178029392

Frequently Asked Questions

What is the IUPAC name of 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine?
The IUPAC name of 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine (CID 123619556) is 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine.
What is the SMILES notation for 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine?
The canonical SMILES for 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine is C=CC=C(C=C)N1CCC(N=O)CC1.
What is the InChIKey of 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine?
The InChIKey is XDWVZAJPQWISDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-5-11(4-2)13-8-6-10(12-14)7-9-13/h3-5,10H,1-2,6-9H2.
What are the key properties of 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine?
1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine has a molecular weight of 192.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-1,3,5-trien-3-yl-4-nitrosopiperidine is sourced from PubChem (CID 123619556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).