2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride

C10H18ClN — CID 17385765

IUPAC2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride
SMILESC=CCC1(CC=C)CCCN1.Cl
InChIInChI=1S/C10H17N.ClH/c1-3-6-10(7-4-2)8-5-9-11-10;/h3-4,11H,1-2,5-9H2;1H
InChIKeyRRQTYCCYVUIIIA-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.68
Rot. Bonds4

About 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride

2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride (PubChem CID 17385765) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride
PubChem CID17385765
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride
SMILESC=CCC1(CC=C)CCCN1.Cl
InChIInChI=1S/C10H17N.ClH/c1-3-6-10(7-4-2)8-5-9-11-10;/h3-4,11H,1-2,5-9H2;1H
InChIKeyRRQTYCCYVUIIIA-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride?
The IUPAC name of 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride (CID 17385765) is 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride?
The canonical SMILES for 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride is C=CCC1(CC=C)CCCN1.Cl.
What is the InChIKey of 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride?
The InChIKey is RRQTYCCYVUIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.ClH/c1-3-6-10(7-4-2)8-5-9-11-10;/h3-4,11H,1-2,5-9H2;1H.
What are the key properties of 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride?
2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride has a molecular weight of 187.71 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 17385765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).