(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide

C9H16N2 — CID 142336950

IUPAC(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide
SMILESC/C=C\N=C(N)\C=C(/C)CC
InChIInChI=1S/C9H16N2/c1-4-6-11-9(10)7-8(3)5-2/h4,6-7H,5H2,1-3H3,(H2,10,11)/b6-4-,8-7+
InChIKeyMKSRCPJUAZWSHT-IQTBQJLQSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds3

About (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide

(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide (PubChem CID 142336950) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide.

Molecular Properties

Compound Name(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide
PubChem CID142336950
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide
SMILESC/C=C\N=C(N)\C=C(/C)CC
InChIInChI=1S/C9H16N2/c1-4-6-11-9(10)7-8(3)5-2/h4,6-7H,5H2,1-3H3,(H2,10,11)/b6-4-,8-7+
InChIKeyMKSRCPJUAZWSHT-IQTBQJLQSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide?
The IUPAC name of (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide (CID 142336950) is (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide.
What is the SMILES notation for (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide?
The canonical SMILES for (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide is C/C=C\N=C(N)\C=C(/C)CC.
What is the InChIKey of (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide?
The InChIKey is MKSRCPJUAZWSHT-IQTBQJLQSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-11-9(10)7-8(3)5-2/h4,6-7H,5H2,1-3H3,(H2,10,11)/b6-4-,8-7+.
What are the key properties of (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide?
(E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N'-[(Z)-prop-1-enyl]pent-2-enimidamide is sourced from PubChem (CID 142336950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).