N-(carbamoylcarbamoyl)-3-methylhex-5-enamide

C9H15N3O3 — CID 11971859

IUPACN-(carbamoylcarbamoyl)-3-methylhex-5-enamide
SMILESC=CCC(C)CC(=O)NC(=O)NC(N)=O
InChIInChI=1S/C9H15N3O3/c1-3-4-6(2)5-7(13)11-9(15)12-8(10)14/h3,6H,1,4-5H2,2H3,(H4,10,11,12,13,14,15)
InChIKeyIYUKGGUTYXWLEG-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.49
Rot. Bonds4

About N-(carbamoylcarbamoyl)-3-methylhex-5-enamide

N-(carbamoylcarbamoyl)-3-methylhex-5-enamide (PubChem CID 11971859) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(carbamoylcarbamoyl)-3-methylhex-5-enamide.

Molecular Properties

Compound NameN-(carbamoylcarbamoyl)-3-methylhex-5-enamide
PubChem CID11971859
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(carbamoylcarbamoyl)-3-methylhex-5-enamide
SMILESC=CCC(C)CC(=O)NC(=O)NC(N)=O
InChIInChI=1S/C9H15N3O3/c1-3-4-6(2)5-7(13)11-9(15)12-8(10)14/h3,6H,1,4-5H2,2H3,(H4,10,11,12,13,14,15)
InChIKeyIYUKGGUTYXWLEG-UHFFFAOYSA-N
XLogP0.49
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(carbamoylcarbamoyl)-3-methylhex-5-enamide?
The IUPAC name of N-(carbamoylcarbamoyl)-3-methylhex-5-enamide (CID 11971859) is N-(carbamoylcarbamoyl)-3-methylhex-5-enamide.
What is the SMILES notation for N-(carbamoylcarbamoyl)-3-methylhex-5-enamide?
The canonical SMILES for N-(carbamoylcarbamoyl)-3-methylhex-5-enamide is C=CCC(C)CC(=O)NC(=O)NC(N)=O.
What is the InChIKey of N-(carbamoylcarbamoyl)-3-methylhex-5-enamide?
The InChIKey is IYUKGGUTYXWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-4-6(2)5-7(13)11-9(15)12-8(10)14/h3,6H,1,4-5H2,2H3,(H4,10,11,12,13,14,15).
What are the key properties of N-(carbamoylcarbamoyl)-3-methylhex-5-enamide?
N-(carbamoylcarbamoyl)-3-methylhex-5-enamide has a molecular weight of 213.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(carbamoylcarbamoyl)-3-methylhex-5-enamide is sourced from PubChem (CID 11971859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).