(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine

C9H11NOS — CID 87646999

IUPAC(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
SMILESCCC(/C=C/c1cccs1)=N/O
InChIInChI=1S/C9H11NOS/c1-2-8(10-11)5-6-9-4-3-7-12-9/h3-7,11H,2H2,1H3/b6-5+,10-8-
InChIKeyDKXPOPMMSKRSJO-VOFQGDAYSA-N
MW181.26 g/mol
LogP3.00
Rot. Bonds3

About (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine

(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine (PubChem CID 87646999) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
PubChem CID87646999
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
SMILESCCC(/C=C/c1cccs1)=N/O
InChIInChI=1S/C9H11NOS/c1-2-8(10-11)5-6-9-4-3-7-12-9/h3-7,11H,2H2,1H3/b6-5+,10-8-
InChIKeyDKXPOPMMSKRSJO-VOFQGDAYSA-N
XLogP3.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-thiophen-2-ylprop-2-enoyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 100994517
(E)-2-thiophen-2-ylethenol
CID 89297537
CID 59090948
CID 59090948
(E)-3-thiophen-2-ylprop-2-enoic acid;hydrochloride
CID 88528301
(E)-4,4-dimethyl-1-thiophen-2-ylpent-1-en-3-one
CID 14044638
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
CID 156698517
(2Z,4E)-3-methyl-5-thiophen-2-ylpenta-2,4-dienal
CID 10678894
(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-en-1-one
CID 19558925
2-[(E)-2-isocyanobut-1-enyl]thiophene
CID 176776853
(1Z,3E,4E)-3-(methoxymethylimino)-5-thiophen-2-ylpenta-1,4-dien-1-amine
CID 165408000
(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
CID 6235093
2-ethoxyethyl (E)-3-thiophen-2-ylprop-2-enoate
CID 78788566

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine (CID 87646999) is (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine is CCC(/C=C/c1cccs1)=N/O.
What is the InChIKey of (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine?
The InChIKey is DKXPOPMMSKRSJO-VOFQGDAYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-2-8(10-11)5-6-9-4-3-7-12-9/h3-7,11H,2H2,1H3/b6-5+,10-8-.
What are the key properties of (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine?
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine has a molecular weight of 181.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine is sourced from PubChem (CID 87646999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).