(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial

C11H17N3S — CID 134386424

IUPAC(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial
SMILESC=C(NN)/C(C=S)=C(C)\N=C(C)\C=C/C
InChIInChI=1S/C11H17N3S/c1-5-6-8(2)13-9(3)11(7-15)10(4)14-12/h5-7,14H,4,12H2,1-3H3/b6-5-,11-9-,13-8+
InChIKeyVCXLCCFKWQPYER-DBPLRCNNSA-N
MW223.34 g/mol
LogP2.27
Rot. Bonds5

About (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial

(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial (PubChem CID 134386424) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial.

Molecular Properties

Compound Name(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial
PubChem CID134386424
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial
SMILESC=C(NN)/C(C=S)=C(C)\N=C(C)\C=C/C
InChIInChI=1S/C11H17N3S/c1-5-6-8(2)13-9(3)11(7-15)10(4)14-12/h5-7,14H,4,12H2,1-3H3/b6-5-,11-9-,13-8+
InChIKeyVCXLCCFKWQPYER-DBPLRCNNSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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'}

Analyze (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial with MolForge

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Related Compounds

(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide
CID 91280064
(Z)-N-[(Z)-3-phenylbut-2-en-2-yl]pent-3-en-2-imine
CID 123710629
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
(3Z,5Z)-N-[(2E)-3-methylpenta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
CID 170212144
1-[(1S,2S)-2-[1-[[(Z)-pent-3-en-2-ylidene]amino]ethenyl]cyclopropyl]ethanone
CID 175616692
[(2E,4Z)-hexa-2,4-dien-3-yl]hydrazine
CID 59490935
5-[(2E)-2-[(Z)-pent-3-en-2-ylidene]hydrazinyl]penta-2,4-dienethial
CID 174066266
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
2-methylprop-2-enethial
CID 54224376
methylhydrazine;2-methylprop-1-ene
CID 142046477

Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial?
The IUPAC name of (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial (CID 134386424) is (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial.
What is the SMILES notation for (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial?
The canonical SMILES for (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial is C=C(NN)/C(C=S)=C(C)\N=C(C)\C=C/C.
What is the InChIKey of (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial?
The InChIKey is VCXLCCFKWQPYER-DBPLRCNNSA-N. The full InChI is InChI=1S/C11H17N3S/c1-5-6-8(2)13-9(3)11(7-15)10(4)14-12/h5-7,14H,4,12H2,1-3H3/b6-5-,11-9-,13-8+.
What are the key properties of (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial?
(E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial has a molecular weight of 223.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-hydrazinylethenyl)-3-[[(Z)-pent-3-en-2-ylidene]amino]but-2-enethial is sourced from PubChem (CID 134386424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).