N'-prop-2-enylethanimidamide

C5H10N2 — CID 55220664

IUPACN'-prop-2-enylethanimidamide
SMILESC=CC/N=C(\C)N
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3,(H2,6,7)
InChIKeyHSMPHDSBHALWNC-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.55
Rot. Bonds2

About N'-prop-2-enylethanimidamide

N'-prop-2-enylethanimidamide (PubChem CID 55220664) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N'-prop-2-enylethanimidamide.

Molecular Properties

Compound NameN'-prop-2-enylethanimidamide
PubChem CID55220664
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN'-prop-2-enylethanimidamide
SMILESC=CC/N=C(\C)N
InChIInChI=1S/C5H10N2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3,(H2,6,7)
InChIKeyHSMPHDSBHALWNC-UHFFFAOYSA-N
XLogP0.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enylethanimidamide?
The IUPAC name of N'-prop-2-enylethanimidamide (CID 55220664) is N'-prop-2-enylethanimidamide.
What is the SMILES notation for N'-prop-2-enylethanimidamide?
The canonical SMILES for N'-prop-2-enylethanimidamide is C=CC/N=C(\C)N.
What is the InChIKey of N'-prop-2-enylethanimidamide?
The InChIKey is HSMPHDSBHALWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3,(H2,6,7).
What are the key properties of N'-prop-2-enylethanimidamide?
N'-prop-2-enylethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enylethanimidamide is sourced from PubChem (CID 55220664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).