(Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide

C12H20N2O — CID 148807361

IUPAC(Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide
SMILESCC/C=C\C(=N/CC)C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-11(13-4-2)12(15)14-9-10-7-8-10/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)/b6-5-,13-11+
InChIKeyOPFOKBDCIGUEBF-SAJBRBQFSA-N
MW208.30 g/mol
LogP1.94
Rot. Bonds6

About (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide

(Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide (PubChem CID 148807361) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide
PubChem CID148807361
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide
SMILESCC/C=C\C(=N/CC)C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O/c1-3-5-6-11(13-4-2)12(15)14-9-10-7-8-10/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)/b6-5-,13-11+
InChIKeyOPFOKBDCIGUEBF-SAJBRBQFSA-N
XLogP1.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.94
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 (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide?
The IUPAC name of (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide (CID 148807361) is (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide.
What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide?
The canonical SMILES for (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide is CC/C=C\C(=N/CC)C(=O)NCC1CC1.
What is the InChIKey of (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide?
The InChIKey is OPFOKBDCIGUEBF-SAJBRBQFSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-6-11(13-4-2)12(15)14-9-10-7-8-10/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)/b6-5-,13-11+.
What are the key properties of (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide?
(Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide has a molecular weight of 208.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethyl)-2-ethyliminohex-3-enamide is sourced from PubChem (CID 148807361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).