N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride

C9H17ClN2 — CID 123348699

IUPACN-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride
SMILESCCC=C(C)C(Cl)=NN(C)CC
InChIInChI=1S/C9H17ClN2/c1-5-7-8(3)9(10)11-12(4)6-2/h7H,5-6H2,1-4H3
InChIKeyUDRCQGPPAPWPGL-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.85
Rot. Bonds4

About N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride

N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride (PubChem CID 123348699) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride.

Molecular Properties

Compound NameN-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride
PubChem CID123348699
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC NameN-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride
SMILESCCC=C(C)C(Cl)=NN(C)CC
InChIInChI=1S/C9H17ClN2/c1-5-7-8(3)9(10)11-12(4)6-2/h7H,5-6H2,1-4H3
InChIKeyUDRCQGPPAPWPGL-UHFFFAOYSA-N
XLogP2.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-3-chloro-4-methylhepta-2,4-diene
CID 134365693
N,N-dimethylethanamine;2-methylpent-2-enamide
CID 172721563
chloromethyl (1Z)-N-[ethyl(methyl)amino]ethanimidothioate
CID 138706839
(Z)-N,N,2-trimethylpent-2-enamide
CID 23256688
(3E,5Z)-4-chloro-5-methylocta-3,5-diene;ethane;ethene
CID 143348498
N-[(1E,3E)-2,3-dimethylhexa-1,3-dienyl]propan-1-imine
CID 145087914
N-methyl-N-(2-methylprop-2-enylideneamino)ethanamine
CID 123532082
[ethyl(methyl)amino] 2-methylpent-2-enoate
CID 174359164
(E)-N,N-dimethylpent-2-en-2-amine;hydrochloride
CID 155386234
N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
CID 170405604
(3Z,5Z)-3-chloro-4-fluoro-5-methylocta-1,3,5-triene
CID 134389909
(E)-2-methylpent-2-enoate
CID 7006461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride?
The IUPAC name of N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride (CID 123348699) is N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride.
What is the SMILES notation for N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride?
The canonical SMILES for N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride is CCC=C(C)C(Cl)=NN(C)CC.
What is the InChIKey of N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride?
The InChIKey is UDRCQGPPAPWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-5-7-8(3)9(10)11-12(4)6-2/h7H,5-6H2,1-4H3.
What are the key properties of N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride?
N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride has a molecular weight of 188.70 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethylpent-2-enehydrazonoyl chloride is sourced from PubChem (CID 123348699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).