(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine

C14H23N — CID 146666517

IUPAC(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine
SMILESC=C(C)C[C@@H]1C(C(=C)C)NC[C@@H]1C(=C)C
InChIInChI=1S/C14H23N/c1-9(2)7-12-13(10(3)4)8-15-14(12)11(5)6/h12-15H,1,3,5,7-8H2,2,4,6H3/t12-,13+,14?/m0/s1
InChIKeyUNTIYDQYPHDJHH-WLDKUNSKSA-N
MW205.34 g/mol
LogP3.31
Rot. Bonds4

About (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine

(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine (PubChem CID 146666517) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine
PubChem CID146666517
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine
SMILESC=C(C)C[C@@H]1C(C(=C)C)NC[C@@H]1C(=C)C
InChIInChI=1S/C14H23N/c1-9(2)7-12-13(10(3)4)8-15-14(12)11(5)6/h12-15H,1,3,5,7-8H2,2,4,6H3/t12-,13+,14?/m0/s1
InChIKeyUNTIYDQYPHDJHH-WLDKUNSKSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.31
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 (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine?
The IUPAC name of (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine (CID 146666517) is (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine?
The canonical SMILES for (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine is C=C(C)C[C@@H]1C(C(=C)C)NC[C@@H]1C(=C)C.
What is the InChIKey of (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine?
The InChIKey is UNTIYDQYPHDJHH-WLDKUNSKSA-N. The full InChI is InChI=1S/C14H23N/c1-9(2)7-12-13(10(3)4)8-15-14(12)11(5)6/h12-15H,1,3,5,7-8H2,2,4,6H3/t12-,13+,14?/m0/s1.
What are the key properties of (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine?
(3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(2-methylprop-2-enyl)-2,4-bis(prop-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 146666517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).