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

C12H20N2O — CID 167243251

IUPAC(Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide
SMILES[H]/N=C(\C=C/CCCC)C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-6-11(13)12(15)14-9-10-7-8-10/h5-6,10,13H,2-4,7-9H2,1H3,(H,14,15)/b6-5-,13-11+
InChIKeyHQUBEOTWZBECFG-SAJBRBQFSA-N
MW208.30 g/mol
LogP2.28
Rot. Bonds7

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

(Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide (PubChem CID 167243251) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide
PubChem CID167243251
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide
SMILES[H]/N=C(\C=C/CCCC)C(=O)NCC1CC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-6-11(13)12(15)14-9-10-7-8-10/h5-6,10,13H,2-4,7-9H2,1H3,(H,14,15)/b6-5-,13-11+
InChIKeyHQUBEOTWZBECFG-SAJBRBQFSA-N
XLogP2.28
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide?
The IUPAC name of (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide (CID 167243251) is (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide.
What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide?
The canonical SMILES for (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide is [H]/N=C(\C=C/CCCC)C(=O)NCC1CC1.
What is the InChIKey of (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide?
The InChIKey is HQUBEOTWZBECFG-SAJBRBQFSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-6-11(13)12(15)14-9-10-7-8-10/h5-6,10,13H,2-4,7-9H2,1H3,(H,14,15)/b6-5-,13-11+.
What are the key properties of (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide?
(Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide has a molecular weight of 208.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethyl)-2-iminooct-3-enamide is sourced from PubChem (CID 167243251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).