(4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine

C11H21N — CID 89146567

IUPAC(4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine
SMILESC=C1C[C@H](CC(C)CCC)CN1
InChIInChI=1S/C11H21N/c1-4-5-9(2)6-11-7-10(3)12-8-11/h9,11-12H,3-8H2,1-2H3/t9?,11-/m0/s1
InChIKeyALSDDLRPKQNELH-UMJHXOGRSA-N
MW167.30 g/mol
LogP2.94
Rot. Bonds4

About (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine

(4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine (PubChem CID 89146567) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine.

Molecular Properties

Compound Name(4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine
PubChem CID89146567
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine
SMILESC=C1C[C@H](CC(C)CCC)CN1
InChIInChI=1S/C11H21N/c1-4-5-9(2)6-11-7-10(3)12-8-11/h9,11-12H,3-8H2,1-2H3/t9?,11-/m0/s1
InChIKeyALSDDLRPKQNELH-UMJHXOGRSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine?
The IUPAC name of (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine (CID 89146567) is (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine.
What is the SMILES notation for (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine?
The canonical SMILES for (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine is C=C1C[C@H](CC(C)CCC)CN1.
What is the InChIKey of (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine?
The InChIKey is ALSDDLRPKQNELH-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-9(2)6-11-7-10(3)12-8-11/h9,11-12H,3-8H2,1-2H3/t9?,11-/m0/s1.
What are the key properties of (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine?
(4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methylidene-4-(2-methylpentyl)pyrrolidine is sourced from PubChem (CID 89146567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).