3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea

C10H20N2O — CID 135047916

IUPAC3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea
SMILESC/C=C/CCN(C(=O)NC)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-6-7-8-12(9(2)3)10(13)11-4/h5-6,9H,7-8H2,1-4H3,(H,11,13)/b6-5+
InChIKeyCQCODKPRKCCWQO-AATRIKPKSA-N
MW184.28 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea

3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea (PubChem CID 135047916) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea
PubChem CID135047916
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea
SMILESC/C=C/CCN(C(=O)NC)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-6-7-8-12(9(2)3)10(13)11-4/h5-6,9H,7-8H2,1-4H3,(H,11,13)/b6-5+
InChIKeyCQCODKPRKCCWQO-AATRIKPKSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 162446301
CID 162446301
CID 13141785
CID 13141785
CID 15112126
CID 15112126
CID 85551378
CID 85551378
CID 85551381
CID 85551381
CID 85551385
CID 85551385
CID 134989520
CID 134989520
CID 134989608
CID 134989608
CID 130666738
CID 130666738
CID 14242465
CID 14242465
CID 13141781
CID 13141781
CID 13141782
CID 13141782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea?
The IUPAC name of 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea (CID 135047916) is 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea?
The canonical SMILES for 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea is C/C=C/CCN(C(=O)NC)C(C)C.
What is the InChIKey of 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea?
The InChIKey is CQCODKPRKCCWQO-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-7-8-12(9(2)3)10(13)11-4/h5-6,9H,7-8H2,1-4H3,(H,11,13)/b6-5+.
What are the key properties of 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea?
3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea has a molecular weight of 184.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(E)-pent-3-enyl]-1-propan-2-ylurea is sourced from PubChem (CID 135047916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).