N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine

C10H19ClN2 — CID 61474181

IUPACN-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESC=C(Cl)CNC(C)CN1CCCC1
InChIInChI=1S/C10H19ClN2/c1-9(11)7-12-10(2)8-13-5-3-4-6-13/h10,12H,1,3-8H2,2H3
InChIKeyLXIFORJITARLON-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.81
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61474181) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61474181
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC NameN-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESC=C(Cl)CNC(C)CN1CCCC1
InChIInChI=1S/C10H19ClN2/c1-9(11)7-12-10(2)8-13-5-3-4-6-13/h10,12H,1,3-8H2,2H3
InChIKeyLXIFORJITARLON-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 61474181) is N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine is C=C(Cl)CNC(C)CN1CCCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is LXIFORJITARLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9(11)7-12-10(2)8-13-5-3-4-6-13/h10,12H,1,3-8H2,2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 202.73 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61474181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).