1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea

C10H20N2O — CID 108910916

IUPAC1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea
SMILESCC(C)/C=C/NC(=O)NCC(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)5-6-11-10(13)12-7-9(3)4/h5-6,8-9H,7H2,1-4H3,(H2,11,12,13)/b6-5+
InChIKeyRTMRLWWLVZYLCP-AATRIKPKSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds4

About 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea

1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea (PubChem CID 108910916) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea
PubChem CID108910916
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea
SMILESCC(C)/C=C/NC(=O)NCC(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)5-6-11-10(13)12-7-9(3)4/h5-6,8-9H,7H2,1-4H3,(H2,11,12,13)/b6-5+
InChIKeyRTMRLWWLVZYLCP-AATRIKPKSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea (CID 108910916) is 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea is CC(C)/C=C/NC(=O)NCC(C)C.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea?
The InChIKey is RTMRLWWLVZYLCP-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)5-6-11-10(13)12-7-9(3)4/h5-6,8-9H,7H2,1-4H3,(H2,11,12,13)/b6-5+.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea?
1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea has a molecular weight of 184.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 108910916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).