methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate

C7H11NO — CID 163838619

IUPACmethyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate
SMILESC=C/C=C(C)\N=C\OC
InChIInChI=1S/C7H11NO/c1-4-5-7(2)8-6-9-3/h4-6H,1H2,2-3H3/b7-5-,8-6+
InChIKeyOJZAOOOSODBEGL-CGXWXWIYSA-N
MW125.17 g/mol
LogP1.75
Rot. Bonds3

About methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate

methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate (PubChem CID 163838619) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate.

Molecular Properties

Compound Namemethyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate
PubChem CID163838619
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Namemethyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate
SMILESC=C/C=C(C)\N=C\OC
InChIInChI=1S/C7H11NO/c1-4-5-7(2)8-6-9-3/h4-6H,1H2,2-3H3/b7-5-,8-6+
InChIKeyOJZAOOOSODBEGL-CGXWXWIYSA-N
XLogP1.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-hexa-1,3,5-trien-2-yl]methanimidate
CID 57605314
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
N-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimine
CID 88986031
N-penta-2,4-dien-2-ylmethanimine
CID 91009510
N-[(3E)-penta-1,3-dien-2-yl]methanimine
CID 101767236
methyl N-prop-1-en-2-ylmethanimidate
CID 123155048
N-hexa-2,4-dien-2-ylmethanimine
CID 123156262
N-[(2Z)-penta-2,4-dien-2-yl]methanimine
CID 141770597
ethane;N-[(2Z)-penta-2,4-dien-2-yl]methanimine
CID 141829893
N-[(2E)-penta-2,4-dien-2-yl]methanimine
CID 141992083
methyl N-buta-1,3-dien-2-ylmethanimidate
CID 142084338
N-[(3Z)-penta-1,3-dien-2-yl]methanimine
CID 142329595

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate?
The IUPAC name of methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate (CID 163838619) is methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate.
What is the SMILES notation for methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate?
The canonical SMILES for methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate is C=C/C=C(C)\N=C\OC.
What is the InChIKey of methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate?
The InChIKey is OJZAOOOSODBEGL-CGXWXWIYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-5-7(2)8-6-9-3/h4-6H,1H2,2-3H3/b7-5-,8-6+.
What are the key properties of methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate?
methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate has a molecular weight of 125.17 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2Z)-penta-2,4-dien-2-yl]methanimidate is sourced from PubChem (CID 163838619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).