carbamoylurea;2-methylhex-2-ene

C9H19N3O2 — CID 174255335

IUPACcarbamoylurea;2-methylhex-2-ene
SMILESCCCC=C(C)C.NC(=O)NC(N)=O
InChIInChI=1S/C7H14.C2H5N3O2/c1-4-5-6-7(2)3;3-1(6)5-2(4)7/h6H,4-5H2,1-3H3;(H5,3,4,5,6,7)
InChIKeyQMVLZBLLPNHSBL-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.49
Rot. Bonds2

About carbamoylurea;2-methylhex-2-ene

carbamoylurea;2-methylhex-2-ene (PubChem CID 174255335) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is carbamoylurea;2-methylhex-2-ene.

Molecular Properties

Compound Namecarbamoylurea;2-methylhex-2-ene
PubChem CID174255335
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Namecarbamoylurea;2-methylhex-2-ene
SMILESCCCC=C(C)C.NC(=O)NC(N)=O
InChIInChI=1S/C7H14.C2H5N3O2/c1-4-5-6-7(2)3;3-1(6)5-2(4)7/h6H,4-5H2,1-3H3;(H5,3,4,5,6,7)
InChIKeyQMVLZBLLPNHSBL-UHFFFAOYSA-N
XLogP1.49
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 carbamoylurea;2-methylhex-2-ene?
The IUPAC name of carbamoylurea;2-methylhex-2-ene (CID 174255335) is carbamoylurea;2-methylhex-2-ene.
What is the SMILES notation for carbamoylurea;2-methylhex-2-ene?
The canonical SMILES for carbamoylurea;2-methylhex-2-ene is CCCC=C(C)C.NC(=O)NC(N)=O.
What is the InChIKey of carbamoylurea;2-methylhex-2-ene?
The InChIKey is QMVLZBLLPNHSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C2H5N3O2/c1-4-5-6-7(2)3;3-1(6)5-2(4)7/h6H,4-5H2,1-3H3;(H5,3,4,5,6,7).
What are the key properties of carbamoylurea;2-methylhex-2-ene?
carbamoylurea;2-methylhex-2-ene has a molecular weight of 201.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;2-methylhex-2-ene is sourced from PubChem (CID 174255335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).