1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea

C12H19N3O — CID 71430288

IUPAC1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea
SMILESCN1CCCC1=NC(=O)NCC1C=CCC1
InChIInChI=1S/C12H19N3O/c1-15-8-4-7-11(15)14-12(16)13-9-10-5-2-3-6-10/h2,5,10H,3-4,6-9H2,1H3,(H,13,16)
InChIKeyFWHANCZCGFYVQN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.79
Rot. Bonds2

About 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea

1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea (PubChem CID 71430288) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea.

Molecular Properties

Compound Name1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea
PubChem CID71430288
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea
SMILESCN1CCCC1=NC(=O)NCC1C=CCC1
InChIInChI=1S/C12H19N3O/c1-15-8-4-7-11(15)14-12(16)13-9-10-5-2-3-6-10/h2,5,10H,3-4,6-9H2,1H3,(H,13,16)
InChIKeyFWHANCZCGFYVQN-UHFFFAOYSA-N
XLogP1.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The IUPAC name of 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea (CID 71430288) is 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea.
What is the SMILES notation for 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The canonical SMILES for 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea is CN1CCCC1=NC(=O)NCC1C=CCC1.
What is the InChIKey of 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
The InChIKey is FWHANCZCGFYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-8-4-7-11(15)14-12(16)13-9-10-5-2-3-6-10/h2,5,10H,3-4,6-9H2,1H3,(H,13,16).
What are the key properties of 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea?
1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea has a molecular weight of 221.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-2-en-1-ylmethyl)-3-(1-methylpyrrolidin-2-ylidene)urea is sourced from PubChem (CID 71430288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).