1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine

C11H21N3 — CID 18547122

IUPAC1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine
SMILESC=C(CN1CCCC1)CN1CCNC1
InChIInChI=1S/C11H21N3/c1-11(8-13-5-2-3-6-13)9-14-7-4-12-10-14/h12H,1-10H2
InChIKeyMJAAASOWFKMCLF-UHFFFAOYSA-N
MW195.31 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine

1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine (PubChem CID 18547122) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine.

Molecular Properties

Compound Name1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine
PubChem CID18547122
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine
SMILESC=C(CN1CCCC1)CN1CCNC1
InChIInChI=1S/C11H21N3/c1-11(8-13-5-2-3-6-13)9-14-7-4-12-10-14/h12H,1-10H2
InChIKeyMJAAASOWFKMCLF-UHFFFAOYSA-N
XLogP0.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
CID 70025049
1-(2-cyclopentylprop-2-enyl)piperazine
CID 117269489
1-[2-(chloromethyl)prop-2-enyl]pyrrolidine
CID 103067565
N-methyl-2-(pyrrolidin-1-ylmethyl)prop-2-en-1-amine
CID 103068801
4-[2-(imidazolidin-1-ylmethyl)but-2-enyl]morpholine
CID 70025514
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
1-(piperidin-1-ylmethyl)piperazine
CID 20508970
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine?
The IUPAC name of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine (CID 18547122) is 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine.
What is the SMILES notation for 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine?
The canonical SMILES for 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine is C=C(CN1CCCC1)CN1CCNC1.
What is the InChIKey of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine?
The InChIKey is MJAAASOWFKMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(8-13-5-2-3-6-13)9-14-7-4-12-10-14/h12H,1-10H2.
What are the key properties of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine?
1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine has a molecular weight of 195.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]imidazolidine is sourced from PubChem (CID 18547122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).