1,3-bis(pent-1-en-3-yl)urea

C11H20N2O — CID 87946299

IUPAC1,3-bis(pent-1-en-3-yl)urea
SMILESC=CC(CC)NC(=O)NC(C=C)CC
InChIInChI=1S/C11H20N2O/c1-5-9(6-2)12-11(14)13-10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3,(H2,12,13,14)
InChIKeyPBNZCWALIBCHFH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.21
Rot. Bonds6

About 1,3-bis(pent-1-en-3-yl)urea

1,3-bis(pent-1-en-3-yl)urea (PubChem CID 87946299) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,3-bis(pent-1-en-3-yl)urea.

Molecular Properties

Compound Name1,3-bis(pent-1-en-3-yl)urea
PubChem CID87946299
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1,3-bis(pent-1-en-3-yl)urea
SMILESC=CC(CC)NC(=O)NC(C=C)CC
InChIInChI=1S/C11H20N2O/c1-5-9(6-2)12-11(14)13-10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3,(H2,12,13,14)
InChIKeyPBNZCWALIBCHFH-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,3-bis(pent-1-en-3-yl)urea?
The IUPAC name of 1,3-bis(pent-1-en-3-yl)urea (CID 87946299) is 1,3-bis(pent-1-en-3-yl)urea.
What is the SMILES notation for 1,3-bis(pent-1-en-3-yl)urea?
The canonical SMILES for 1,3-bis(pent-1-en-3-yl)urea is C=CC(CC)NC(=O)NC(C=C)CC.
What is the InChIKey of 1,3-bis(pent-1-en-3-yl)urea?
The InChIKey is PBNZCWALIBCHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(6-2)12-11(14)13-10(7-3)8-4/h5,7,9-10H,1,3,6,8H2,2,4H3,(H2,12,13,14).
What are the key properties of 1,3-bis(pent-1-en-3-yl)urea?
1,3-bis(pent-1-en-3-yl)urea has a molecular weight of 196.29 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(pent-1-en-3-yl)urea is sourced from PubChem (CID 87946299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).