N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide

C10H16N2O — CID 155083387

IUPACN-(cyclopropylmethyl)-2-ethyliminobut-3-enamide
SMILESC=C/C(=N\CC)C(=O)NCC1CC1
InChIInChI=1S/C10H16N2O/c1-3-9(11-4-2)10(13)12-7-8-5-6-8/h3,8H,1,4-7H2,2H3,(H,12,13)/b11-9+
InChIKeyQCJTUZTXZZLIRD-PKNBQFBNSA-N
MW180.25 g/mol
LogP1.16
Rot. Bonds5

About N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide

N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide (PubChem CID 155083387) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-ethyliminobut-3-enamide
PubChem CID155083387
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(cyclopropylmethyl)-2-ethyliminobut-3-enamide
SMILESC=C/C(=N\CC)C(=O)NCC1CC1
InChIInChI=1S/C10H16N2O/c1-3-9(11-4-2)10(13)12-7-8-5-6-8/h3,8H,1,4-7H2,2H3,(H,12,13)/b11-9+
InChIKeyQCJTUZTXZZLIRD-PKNBQFBNSA-N
XLogP1.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide?
The IUPAC name of N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide (CID 155083387) is N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide is C=C/C(=N\CC)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide?
The InChIKey is QCJTUZTXZZLIRD-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-9(11-4-2)10(13)12-7-8-5-6-8/h3,8H,1,4-7H2,2H3,(H,12,13)/b11-9+.
What are the key properties of N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide?
N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-ethyliminobut-3-enamide is sourced from PubChem (CID 155083387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).