5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial

C10H14N2S — CID 174066266

IUPAC5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial
SMILESC/C=C\C(C)=N\NC=CC=CC=S
InChIInChI=1S/C10H14N2S/c1-3-7-10(2)12-11-8-5-4-6-9-13/h3-9,11H,1-2H3/b6-4?,7-3-,8-5?,12-10+
InChIKeyKWFAQRDWXJKWDJ-OOZMDVQKSA-N
MW194.30 g/mol
LogP2.60
Rot. Bonds5

About 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial

5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial (PubChem CID 174066266) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial.

Molecular Properties

Compound Name5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial
PubChem CID174066266
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial
SMILESC/C=C\C(C)=N\NC=CC=CC=S
InChIInChI=1S/C10H14N2S/c1-3-7-10(2)12-11-8-5-4-6-9-13/h3-9,11H,1-2H3/b6-4?,7-3-,8-5?,12-10+
InChIKeyKWFAQRDWXJKWDJ-OOZMDVQKSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
N-propylpent-3-en-2-imine
CID 123895305
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
(Z)-4-sulfanylidenepent-2-enethial
CID 126710808
N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131
(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial
CID 134386424
N'-[[(Z)-prop-1-enyl]amino]carbamimidoyl chloride
CID 175613156
pent-3-en-2-one
CID 12248
(2Z,4E)-4-fluorohexa-2,4-dienethial
CID 146259187
N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]acetamide
CID 142272541

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial?
The IUPAC name of 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial (CID 174066266) is 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial.
What is the SMILES notation for 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial?
The canonical SMILES for 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial is C/C=C\C(C)=N\NC=CC=CC=S.
What is the InChIKey of 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial?
The InChIKey is KWFAQRDWXJKWDJ-OOZMDVQKSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-7-10(2)12-11-8-5-4-6-9-13/h3-9,11H,1-2H3/b6-4?,7-3-,8-5?,12-10+.
What are the key properties of 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial?
5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial has a molecular weight of 194.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial is sourced from PubChem (CID 174066266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).