3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol

C₁₁H₂₀ClNO — CID 103067813

About 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 103067813) has the molecular formula C₁₁H₂₀ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
• PubChem CID: 103067813
• Molecular Formula: C₁₁H₂₀ClNO
• Molecular Weight: 217.74 g/mol
• Exact Mass: 217.12
• IUPAC Name: 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
• SMILES: C=C(CCl)CN1CCCC1CCCO
• InChI: InChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-2-4-11(13)5-3-7-14/h11,14H,1-9H2
• InChIKey: GUHPMARQKIPYLV-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	217.74
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?

The IUPAC name of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol (CID 103067813) is 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol.

What is the SMILES notation for 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?

The canonical SMILES for 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol is C=C(CCl)CN1CCCC1CCCO.

What is the InChIKey of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?

The InChIKey is GUHPMARQKIPYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-10(8-12)9-13-6-2-4-11(13)5-3-7-14/h11,14H,1-9H2.

What are the key properties of 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol?

3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 217.74 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(chloromethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 103067813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103067813 — identifiers, structure, computed properties (public domain)

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