1-propan-2-yl-3-prop-1-en-2-ylurea

C7H14N2O — CID 108910164

IUPAC1-propan-2-yl-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)8-7(10)9-6(3)4/h6H,1H2,2-4H3,(H2,8,9,10)
InChIKeySYVDMRFUNBXRBZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.23
Rot. Bonds2

About 1-propan-2-yl-3-prop-1-en-2-ylurea

1-propan-2-yl-3-prop-1-en-2-ylurea (PubChem CID 108910164) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-1-en-2-ylurea
PubChem CID108910164
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-propan-2-yl-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)8-7(10)9-6(3)4/h6H,1H2,2-4H3,(H2,8,9,10)
InChIKeySYVDMRFUNBXRBZ-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-prop-1-en-2-ylurea?
The IUPAC name of 1-propan-2-yl-3-prop-1-en-2-ylurea (CID 108910164) is 1-propan-2-yl-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1-propan-2-yl-3-prop-1-en-2-ylurea?
The canonical SMILES for 1-propan-2-yl-3-prop-1-en-2-ylurea is C=C(C)NC(=O)NC(C)C.
What is the InChIKey of 1-propan-2-yl-3-prop-1-en-2-ylurea?
The InChIKey is SYVDMRFUNBXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)8-7(10)9-6(3)4/h6H,1H2,2-4H3,(H2,8,9,10).
What are the key properties of 1-propan-2-yl-3-prop-1-en-2-ylurea?
1-propan-2-yl-3-prop-1-en-2-ylurea has a molecular weight of 142.20 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).