(2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine

C16H28N2O — CID 141151693

IUPAC(2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESC=C(C=CCOC)CN1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C16H28N2O/c1-15(7-6-12-19-2)13-18-11-5-8-16(18)14-17-9-3-4-10-17/h6-7,16H,1,3-5,8-14H2,2H3/t16-/m0/s1
InChIKeyCNYROJIUXPEYMC-INIZCTEOSA-N
MW264.41 g/mol
LogP2.31
Rot. Bonds7

About (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine

(2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 141151693) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID141151693
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESC=C(C=CCOC)CN1CCC[C@H]1CN1CCCC1
InChIInChI=1S/C16H28N2O/c1-15(7-6-12-19-2)13-18-11-5-8-16(18)14-17-9-3-4-10-17/h6-7,16H,1,3-5,8-14H2,2H3/t16-/m0/s1
InChIKeyCNYROJIUXPEYMC-INIZCTEOSA-N
XLogP2.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 141151693) is (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine is C=C(C=CCOC)CN1CCC[C@H]1CN1CCCC1.
What is the InChIKey of (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is CNYROJIUXPEYMC-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(7-6-12-19-2)13-18-11-5-8-16(18)14-17-9-3-4-10-17/h6-7,16H,1,3-5,8-14H2,2H3/t16-/m0/s1.
What are the key properties of (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine?
(2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 264.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methoxy-2-methylidenepent-3-enyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 141151693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).